Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Food Additives  /  Pharmaceutical Intermediates  /  Organic Intermediates  /  Organic Intermediate  /  Others
TRANS-2-METHYLCYCLOHEXYLAMINE structure
TRANS-2-METHYLCYCLOHEXYLAMINE structure

TRANS-2-METHYLCYCLOHEXYLAMINE

Iupac Name:2-(1H-imidazol-5-yl)ethanamine;dihydrochloride
CAS No.:56-92-8
Molecular Weight:184.064
1. Names and Identifiers
1.1 Name
TRANS-2-METHYLCYCLOHEXYLAMINE
1.2 Synonyms

(1R,2R)-2-MethylcyclohexanaMine Cyclohexanamine, 2-methyl-, (1R,2R)- Cyclohexanamine, 2-methyl-, (1R,2R)-rel- tran-2-Methyl-cyclohexylamine trans-2-MethylcyclohexanaMine

1.3 CAS No.
56-92-8
1.4 CID
5818
1.5 Molecular Formula
C6H8O2 (isomer)
1.6 Inchi
InChI=1S/C5H9N3.2ClH/c6-2-1-5-3-7-4-8-5;;/h3-4H,1-2,6H2,(H,7,8);2*1H
1.7 InChkey
PPZMYIBUHIPZOS-UHFFFAOYSA-N
1.8 Canonical Smiles
C1=C(NC=N1)CCN.Cl.Cl
1.9 Isomers Smiles
C1=C(NC=N1)CCN.Cl.Cl
2. 3D Conformer
3. Properties
3.1 Melting Point
249-252℃
3.2 Flash Point
21.9°C
4. Safety and Handling
4.1 Risk Statements
R42
4.2 Safety Statements
S22;S37
4.3 HazardClass
IRRITANT
4.4 Hazard Note
H315; H317; H319; H334; H335
4.5 Transport
3335
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Skin sensitization, Category 1

Eye irritation, Category 2

Respiratory sensitization, Category 1

Specific target organ toxicity \u2013 single exposure, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H315 Causes skin irritation

H317 May cause an allergic skin reaction

H319 Causes serious eye irritation

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335 May cause respiratory irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P261 Avoid breathing dust/fume/gas/mist/vapours/spray.

P272 Contaminated work clothing should not be allowed out of the workplace.

P284 [In case of inadequate ventilation] wear respiratory protection.

P271 Use only outdoors or in a well-ventilated area.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P333+P313 If skin irritation or rash occurs: Get medical advice/attention.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

P304+P340 IF INHALED: Remove person to fresh air and keep comfortable for breathing.

P342+P311 If experiencing respiratory symptoms: Call a POISON CENTER/doctor/...

P312 Call a POISON CENTER/doctor/\u2026if you feel unwell.

Storage

P403+P233 Store in a well-ventilated place. Keep container tightly closed.

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:184.064g/mol
  • Molecular Formula:C6H8O2
  • Compound Is Canonicalized:True
  • Exact Mass:183.033
  • Monoisotopic Mass:183.033
  • Complexity:64.7
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:54.7A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:3
  • CACTVS Substructure Key Fingerprint: AAADccBjAAAGAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHAAQAAAACAjBFgQtkBbJkACg ARRnZAAAgC2xEqABUYA4cAiAaABAyQEUAAAIEAJAQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Similar Structures Products
8. Recommended Suppliers
Global164SuppliersView all >>
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Histamine dihydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 180 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:breeduan@crovellbio.com
Factory supply Histamine dihydrochloride Cas 56-92-8 from China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 10 USD/Kilogram
  • Time: 2021/07/01
Inquire
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Histamine dihydrochloride TOP manufacturerCAS NO.: 56-92-8
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 5600 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:chemical industry and Pharmaceutical Intermediates products
  • Tel:0086-0311-88888888
  • Email:lisa@zhanyaobio.com
Histamine dihydrochloride supplier in China
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/07/21
Inquire
  • Products:Manufacture & Supply Biopharm Chemical, Specialty Chemical, PetroChemical.
  • Tel:86-592-8883942
  • Email:sale@amitychem.com
Factory Supply 2-imidazol-4-ylethylamine dihydrochloride
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 0.1 USD/Kilogram
  • Time: 2021/03/09
Inquire