CAS 112-20-9 Nonylamine (HCID 16215)

Substructure search Find similar structures

Basic information

CAS: 112-20-9
Standard SMILES: CCCCCCCCCN
InChIKey: FJDUDHYHRVPMJZ-UHFFFAOYSA-N
Molecular formula: C9H21N
Average molar mass: 143.27 g/mol
Monoisotopic mass: 143.16739967

Overview

RN given refers to parent cpd

Names & identifiers

Preferred name: Nonylamine
IUPAC: nonan-1-amine
English name: 1-AMINONONANE
Molecular formula: C9H21N
Molecular weight: 143.27

Names & synonyms

Nonylamine112-20-91-Nonanamine1-Nonylamine7L7H2HT4OKDTXSID7021944RefChem:166508DTXCID701944203-945-91-Aminononanenonan-1-aminen-Nonylamine

Show more names

AMINE C9Ninaminen-NonylaminNonylamine>N-Nonylamine99%

monononylaminenonyl-aminen-nonyl amineUNII-7L7H2HT4OKEINECS 203-945-9MFCD00008249Nonylamine, 98%AI3-16562

Database identifiers

CAS: 112-20-9
PubChem CID: 16215
DTXSID: DTXSID7021944
UNII: 7L7H2HT4OK
EC Number: 203-945-9
Nikkaji: J96.512J

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 7
Heavy atoms: 10
Formal charge: 0
Complexity: 52.7

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aliphatic

SpringerMaterials PropertiesBoiling point

Vapor Pressure0.27 [mmHg]

Physical DescriptionClear colorless liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: -1 °C · -1 °C
Boiling point: 201 °C · 201 °C(lit.)
Density: 0.782 g/mL · 0.782 g/mL at 25 °C(lit.)
vapor pressure: 0.37 hPa · 0.37 hPa (25 °C)
refractive index: 20 · n20/D 1.433(lit.)
Flash point: 145 °F · 145 °F
storage temp.: 30 °C · Store below +30°C.
form: Liquid
pka: 10.64 · 10.64(at 25℃)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.