N-(2-methylpropyl)cyclopentanamine

HCID 28428761CAS 42870-64-4

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Basic information

Standard SMILES: CC(C)CNC1CCCC1
InChIKey: CVKXFVVZAOTNNJ-UHFFFAOYSA-N
Molecular formula: C9H19N
Average molar mass: 141.25 g/mol
Monoisotopic mass: 141.15174961

Names & identifiers

Preferred name: N-(2-methylpropyl)cyclopentanamine
IUPAC: N-(2-methylpropyl)cyclopentanamine
English name: N-(2-methylpropyl)cyclopentanamine
Molecular formula: C9H19N
Molecular weight: 141.25

Names & synonyms

N-(2-methylpropyl)cyclopentanamine42870-64-4RefChem:825653848-550-8N-isobutylcyclopentanamineN-Cyclopentyl-N-isobutylaminecyclopentyl-isobutyl-amineSCHEMBL172662SCHEMBL3920578CVKXFVVZAOTNNJ-UHFFFAOYSA-NAKOS000226573CS-0246411

Show more names

Cyclopentanamine, N-(2-methylpropyl)-

EN300-32550Z90515478

Database identifiers

CAS: 42870-64-4
PubChem CID: 28428761
EC Number: 848-550-8

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 82

Physicochemical properties

Boiling point: 172 · 172-176 °C
Density: 0.84 · 0.84±0.1 g/cm3(Predicted)
pka: 11.12 · 11.12±0.20(Predicted)
Symbol(GHS): 2 · GHS02,GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H226-H315-H318-H335
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS02,GHS07,GHS05
Hazard statements: H302-H226-H315-H318-H335
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310