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Home> Hot Product Listed 4   > (4-aminocyclohexyl)methanol
5949-29-1 structure

(4-aminocyclohexyl)methanol

Iupac Name:2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CAS No.:5949-29-1
Molecular Weight:210.1388
Molecular Formula:C9H12CLN (isomer)
Names and Identifiers
Synonyms

((1R,4R)-4-AMinocyclohexyl)Methanol hydrochloride (4-AMINO-CYCLOHEXYL)-METHANOL HCL (4-AMinocyclohexyl)Methanol hydrochloride (4-Aminocyclohexyl)Methanol((1s,4s)4aminocyclohexyl)methanol hydrochloride (trans-4-Aminocyclohexyl) (trans-4-AMinocyclohexyl)Methanol hydrochloride trans-4-Amino-cyclohexanemethanol HCl trans-4-AMinocyclohexaneMethanol hydrochloride

Inchi
InChI=1S/C6H8O7.H2O/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
InChkey
YASYEJJMZJALEJ-UHFFFAOYSA-N
Canonical Smiles
C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O
Properties
Density
1.193
Melting Point
-94 °C(lit.)
Boiling Point
639.9°Cat760mmHg
Vapour
184 mm Hg ( 20 °C)
Refractive Index
n20/D 1.359(lit.)
Flash Point
254.8°C
HS Code
29181400
Safety and Handling
Risk Statements
11-36-66-67-41-36/37/38-37/38
Safety Statements
9-16-26-37/39-36/37/39-36
Hazard Note
H319
PackingGroup
I; II; III
Transport
UN 1090 3/PG 2
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 5949-29-1 EC: (4-aminocyclohexyl)methanol ·ECHA C&L Inventory for CAS: CAS: 5949-29-1 EC: (4-aminocyclohexyl)methanol
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:210.1388g/mol
  • Molecular Formula:C9H12CLN
  • Compound Is Canonicalized:True
  • Exact Mass:210.038
  • Monoisotopic Mass:210.038
  • Complexity:227
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:133A^2
  • Heavy Atom Count:14
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBgPAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAADESAgAAACAAAAgAI AACQCAIAAAAAAAAAAAFAAAABABYAAAAAQAAFIAABAADLJgAKAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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