CAS 627-35-0 N-Methylpropylamine (HCID 12315)

Substructure search Find similar structures

Basic information

CAS: 627-35-0
Standard SMILES: CCCNC
InChIKey: GVWISOJSERXQBM-UHFFFAOYSA-N
Molecular formula: C4H11N
Average molar mass: 73.14 g/mol
Monoisotopic mass: 73.08914935

Names & identifiers

Preferred name: N-Methylpropylamine
IUPAC: N-methylpropan-1-amine
English name: N-Methylpropylamine
Molecular formula: C4H11N
Molecular weight: 73.14

Names & synonyms

N-METHYLPROPYLAMINE627-35-0N-Methyl-N-propylamineN-methylpropan-1-aminemethyl(propyl)amineN-methyl-1-propanamine1-Propanamine, N-methyl-n-methyl-1-propylamineMethyl-n-propylaminemethylpropylamineMFCD00009361methyl propylamine

Show more names

N-MethylpropylaminPropyl(methyl)amineN-MethylpropanaMine

methylpropyl amineVW1H32H1QMmethyl propyl aminemethyl-propyl-amineN-PropylmethylamineDTXSID50211760NSC 165652NSC-165652

Database identifiers

CAS: 627-35-0
PubChem CID: 12315
DTXSID: DTXSID50211760
UNII: VW1H32H1QM
EC Number: 628-779-8
Nikkaji: J95.054H

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 5
Formal charge: 0
Complexity: 13.1

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic

SpringerMaterials PropertiesBoiling point

Vapor Pressure141.0 [mmHg]

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -60.4 °C · -60.4°C (estimate)
Boiling point: 61 · 61-63 °C(lit.)
Density: 0.713 g/mL · 0.713 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.394(lit.)
Flash point: 25 °F · −25 °F
storage temp.: Flammables area
solubility: Chloroform, Methanol
pka: 10.76 · 10.76±0.10(Predicted)
form

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger 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 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See N-Methylbutylamine.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE: Faceshields, Gloves, Goggles
wgk: 3
ridadr: UN 2733 3/PG 2
hs_code: 29211990
risk_code: 11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45-25
hazard_class: 3
Storage Class: 3 - Flammable liquids

Chemistry & industry

Applications

UsesA naturally occurring nitrostable secondary amine found in tabacco smoke condensate.

General DescriptionThe NMR spectra of N-methylpropylamine coordinated to the paramagnetic 11-tungstocobalto(II)silicate anion (SiW11Co) in dimethylsulfoxide-d6 was studied.