CAS 25756-29-0 (Cyclohexylmethyl)(methyl)amine (HCID 117276)

Substructure search Find similar structures

Basic information

CAS: 25756-29-0
Standard SMILES: CNCC1CCCCC1
InChIKey: IWHLPMBLJZJCJK-UHFFFAOYSA-N
Molecular formula: C8H17N
Average molar mass: 127.23 g/mol
Monoisotopic mass: 127.13609954

Names & identifiers

Preferred name: (Cyclohexylmethyl)(methyl)amine
IUPAC: 1-cyclohexyl-N-methylmethanamine
English name: 1-cyclohexyl-N-methyl-methanamine
Molecular formula: C8H17N
Molecular weight: 127.23

Names & synonyms

(Cyclohexylmethyl)(methyl)amineN-MethylcyclohexanemethanamineRefChem:406056803-547-025756-29-01-cyclohexyl-N-methylmethanamine1-cyclohexyl-N-Methyl-MethanaMine(cyclohexylmethyl)methylamineCyclohexanemethanamine, N-methyl-MFCD01734787N-Methyl-cyclohexanemethanamineN-Methylcyclohexylmethylamine

Show more names

(cyclohexylmethyl)methylamine(SALTDATA: HCl)1-cyclohexyl-N-methylmethanamine hydrochloride

BRN 2070278Cyclohexanemethylamine, N-methyl-N-Methyl-N-(cyclohexylmethyl) amineN-Methylcyclohexylmethanaminecyclohexylmethyl-methylaminecyclohexylmethylmethyl-amineCyclohexylmethyl-methyl-amineSCHEMBL338123

Database identifiers

CAS: 25756-29-0
PubChem CID: 117276
DTXSID: DTXSID50948625
EC Number: 803-547-0
Nikkaji: J34.005G

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 65

Physicochemical properties

Melting point: -15 °C · -15°C (estimate)
Boiling point: 166.06 °C · 166.06°C (estimate)
Density: 0.8455 · 0.8455 (estimate)
refractive index: 1.4503 · 1.4503 (estimate)
storage temp.: Store at Room Tem.
pka: 10.98 · 10.98±0.10(Predicted)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H302
Precautionary statements: 280 · P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Hazard Codes: Xn
Risk Statements: 22 · 22-41
Safety Statements: 26 · 26-39
RIDADR: 2735 · UN2735
HazardClass: 8 · 8
HS Code: 2921309990 · 2921309990

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 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 CategoriesAcute Tox. 4 (97.5%)

Safety data

ridadr: UN2735
hs_code: 2921309990
risk_code: 22-41
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: Xn
safety_code: 26-39
hazard_class: 8
Hazard statements: H318-H302
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501