1-Aminocyclopentanecarbonitrile

HCID 2106897

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Basic information

CAS: 49830-37-7
Standard SMILES: N#CC1(N)CCCC1
InChIKey: KFPMRYNOEZCHDP-UHFFFAOYSA-N
Molecular formula: C6H10N2
Average molar mass: 110.16 g/mol
Monoisotopic mass: 110.08439832

Names & identifiers

Preferred name: 1-Aminocyclopentanecarbonitrile
IUPAC: 1-aminocyclopentane-1-carbonitrile
English name: 1-Aminocyclopentane carbonitrile
Molecular formula: C6H10N2
Molecular weight: 110.16

Names & synonyms

1-aminocyclopentanecarbonitrile49830-37-71-aminocyclopentane-1-carbonitrileDTXSID70366549RefChem:429417DTXCID40317588610-484-01-aminocyclopentane carbonitrileMFCD05262933cyclopentanecarbonitrile, 1-amino-, hydrochloride1-amino-1-cyanocyclopentaneSCHEMBL75984

Show more names

A80241Irbint-A01Irbesartan Impurity 40 MonomerCyclopentanecarbonitrile,1-amino-1-aminocyclopentanecarbonitrile(SALTDATA: HCl)

1-Amino-cyclopentanecarbonitrileSCHEMBL104514981-Amino-cyclopentane carbonitrileKFPMRYNOEZCHDP-UHFFFAOYSA-NHMS1787H05ALBB-022762AKOS008967041FA28801

Database identifiers

CAS: 49830-37-7
PubChem CID: 2106897
DTXSID: DTXSID70366549
EC Number: 610-484-0
Nikkaji: J444.925H

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 49.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 60 °C · 60 °C(Press: 0.5 Torr)
Density: 1.02 · 1.02±0.1 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 5.18 · 5.18±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
HS Code: 2926907090 · 2926907090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.