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Cyclohexanamine,2-methyl-, (1R,2S)-rel- structure
Cyclohexanamine,2-methyl-, (1R,2S)-rel- structure

Cyclohexanamine,2-methyl-, (1R,2S)-rel-

Iupac Name:dialuminum;trisulfate
CAS No.:10043-01-3
Molecular Weight:348.19900
1. Names and Identifiers
1.1 Name
Cyclohexanamine,2-methyl-, (1R,2S)-rel-
1.2 Synonyms

(1R,2S)-2-MethylcyclohexanaMine 2-cis-Methylcyclohexanamine cis-2-Methyl-1-cyclohexylamine Cis-2-Methylcyclohexyl amine Cyclohexanamine, 2-methyl-, (1R,2S)-rel- CyclohexanaMine, 2-Methyl-, cis-

1.3 CAS No.
10043-01-3
1.4 CID
24850
1.5 Molecular Formula
C11H13NO2 (isomer)
1.6 Inchi
InChI=1S/2Al.3H2O4S/c;;3*1-5(2,3)4/h;;3*(H2,1,2,3,4)/q2*+3;;;/p-6
1.7 InChkey
DIZPMCHEQGEION-UHFFFAOYSA-H
1.8 Canonical Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]
1.9 Isomers Smiles
[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Al+3].[Al+3]
2. 3D Conformer
3. Properties
3.1 Density
1?+-.0.06 g/cm3(Predicted)
3.2 Melting Point
770°C (dec.)(lit.)
3.3 Boiling Point
165.2 ℃ at 760 mmHg
3.4 Vapour
Esentially zero.
3.5 Refractive Index
Index of refraction: 1.47
4. Safety and Handling
4.1 Risk Statements
R36/37/38; R51/53
4.2 Safety Statements
S26-S39-S61-S37/39-S29
4.3 HazardClass
9.2
4.4 PackingGroup
Z01
4.5 Transport
UN 1760/3077
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Corrosive to metals, Category 1

Serious eye damage, Category 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H290 May be corrosive to metals

H318 Causes serious eye damage

Precautionary statement(s)
Prevention

P234 Keep only in original packaging.

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

Response

P390 Absorb spillage to prevent material damage.

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

P310 Immediately call a POISON CENTER/doctor/\u2026

Storage

P406 Store in a corrosion resistant/...container with a resistant inner liner.

Disposal

none

2.3 Other hazards which do not result in classification

none

6. Computational chemical data
  • Molecular Weight:348.19900g/mol
  • Molecular Formula:C11H13NO2
  • Compound Is Canonicalized:True
  • Exact Mass:341.818
  • Monoisotopic Mass:341.818
  • Complexity:62.2
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:12
  • Topological Polar Surface Area:266A^2
  • Heavy Atom Count:17
  • 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:5
  • CACTVS Substructure Key Fingerprint: AAADcQAAPABgABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AAAAADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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