CAS 3218-02-8 Cyclohexanemethylamine (HCID 76688)

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Basic information

CAS: 3218-02-8
Standard SMILES: NCC1CCCCC1
InChIKey: AVKNGPAMCBSNSO-UHFFFAOYSA-N
Molecular formula: C7H15N
Average molar mass: 113.2 g/mol
Monoisotopic mass: 113.12044948

Names & identifiers

Preferred name: Cyclohexanemethylamine
IUPAC: cyclohexylmethanamine
English name: (Aminomethyl)cyclohexane
Molecular formula: C7H15N
Molecular weight: 113.2

Names & synonyms

CyclohexanemethylamineCyclohexylmethanamine3218-02-8Aminomethylcyclohexane(Aminomethyl)cyclohexaneCyclohexanemethanamineEINECS 221-741-8NSC 172991BRN 0635751DTXSID101859584-12-00-00123 (Beilstein Handbook Reference)RefChem:580596

Show more names

RARECHEM AL BW 0122HEXAHYDROBENZYLAMINE1-CyclohexanemethanamineCyclohexanemethylamine,98%

DTXCID50108449221-741-8cyclohexylmethanaminium1-Cyclohexylmethanamine1-cyclohexylmethylamineMFCD00001520C-Cyclohexyl-methylamineCHEMBL1049

Database identifiers

CAS: 3218-02-8
PubChem CID: 76688
DTXSID: DTXSID10185958
ChEMBL: CHEMBL1049
EC Number: 221-741-8
Nikkaji: J48.566G

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 55.4

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point: -8 °C · -8°C
Boiling point: 159 · 159-161 °C (lit.)
Density: 0.87 g/mL · 0.87 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.462(lit.)
Flash point: 110 °F · 110 °F
storage temp.: 2 · 2-8°C, protect from light
form: Liquid
pka: 10.42 · 10.42±0.29(Predicted)
color: Clear colorless to slightly yellow
Water Solubility: Slightly soluble in water.
Sensitive: Air Sensitive
BRN: 635751 · 635751
InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
rtecs: GV6128000
ridadr: UN 2734 8/PG 2
hs_code: 29213099
risk_code: 10-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 16-26-36/37/39-45
hazard_class: 8
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H226-H314
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Applications · 1 item

UsesCyclohexanemethylamine was used in the synthesis of Schiff′s base ligand, 4-methyl-2,6-bis(cyclohexylmethyliminomethyl)-phenol, which forms hexanuclear zinc(II) complexes. Cyclohexanemethylamine was used during the synthesis of 1-acyl-4 cycloalkyl/arylsemicarbazides and 1-acyl-5-benzyloxy/hydroxyl carbamoylcarbazides from the nonsteroidal anti-inflammatory drugs.