CAS 39135-39-2 2,6-Dimethyl-1-piperidylamine (HCID 123482)

Substructure search Find similar structures

Basic information

CAS: 39135-39-2
Standard SMILES: CC1CCCC(C)N1N
InChIKey: UAHWWAIVYPJROV-UHFFFAOYSA-N
Molecular formula: C7H16N2
Average molar mass: 128.22 g/mol
Monoisotopic mass: 128.13134851

Names & identifiers

Preferred name: 2,6-Dimethyl-1-piperidylamine
IUPAC: 2,6-dimethylpiperidin-1-amine
English name: 3-Amino-cis-dimethylpiperidine
Molecular formula: C7H16N2
Molecular weight: 128.22

Names & synonyms

1-Amino-2,6-dimethylpiperidine2,6-Dimethyl-1-piperidylamineRefChem:445650254-310-82,6-dimethylpiperidin-1-amine39135-39-21-Piperidinamine, 2,6-dimethyl-Piperidine, 1-amino-2,6-dimethyl-MFCD000064903-AMINO-CIS-DIMETHYLPIPERIDINE61147-58-82,6-dimethylpiperidylamine

Show more names

Nsc223068cis-2,6-Dimethyl-1-piperidinaminecis-1-Amino-2,6-dimethylpiperidine(Z)-N-Amino-2,6-dimethylpiperidine1-AMINO-CIS-2,6-DIMETHYLPIPERIDINEN-AMINO-2,6-DIMETHYLPIPERIDINE, CIS1-Piperidinamine, 2,6-dimethyl-, (2R,6S)-rel-

EINECS 254-310-8BRN 0079975AI3-524511-Piperidinamine,2,6-dimethyl-5-20-04-00187 (Beilstein Handbook Reference)SCHEMBL1187152SCHEMBL8314950UAHWWAIVYPJROV-UHFFFAOYSA-

Database identifiers

CAS: 39135-39-2、61147-58-8
PubChem CID: 123482
DTXSID: DTXSID20959940
EC Number: 254-310-8
Nikkaji: J50.642G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 82.9

Physicochemical properties

Boiling point: 160 · 160 ºC
Density: 0.883 · 0.883
refractive index: 20 · n20/D 1.464
Flash point: 42 °C · 42 °C
pka: 8.232 · 8.232±0.60(predicted)
Hazard Codes: Xi
Risk Statements: 10 · 10-36/37/38
Safety Statements: 26 · 26-36
RIDADR: 1993 · UN 1993 3/PG 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.