5-(Aminomethyl)pyrrolidin-2-one

HCID 14143189CAS 154148-69-3

Substructure search Find similar structures

Basic information

Standard SMILES: NCC1CCC(=O)N1
InChIKey: GFOAHABINHRDKL-UHFFFAOYSA-N
Molecular formula: C5H10N2O
Average molar mass: 114.15 g/mol
Monoisotopic mass: 114.07931294

Names & identifiers

Preferred name: 5-(Aminomethyl)pyrrolidin-2-one
IUPAC: 5-(aminomethyl)pyrrolidin-2-one
English name: 5-AMINOMETHYL-PYRROLIDIN-2-ONE
Molecular formula: C5H10N2O
Molecular weight: 114.15

Names & synonyms

5-(aminomethyl)pyrrolidin-2-one154148-69-3DTXSID70556483RefChem:300197DTXCID00507266972-855-65-Aminomethyl-pyrrolidin-2-one5-(AMINOMETHYL)-2-PYRROLIDONE2-Pyrrolidinone, 5-(aminomethyl)-5-(Aminomethyl)-2-pyrrolidinoneMFCD067388935-(Aminomethyl)pyrrolidin-2-one; [(5-Oxopyrrolidin-2-yl)methyl]amine

Show more names

5-(Aminomethyl)pyrrolidin-2-one hydrochloride5-(aminomethyl)pyrrolidin-2-one(SALTDATA: oxalate)

5-AMINOMETHYL-PYRROLIDSCHEMBL8644234-(AMinoMethyl)-2-pyrrolidoneCHEMBL4537373GFOAHABINHRDKL-UHFFFAOYSA-NALBB-003722STK411273AKOS006282558

Database identifiers

CAS: 154148-69-3
PubChem CID: 14143189
DTXSID: DTXSID70556483
ChEMBL: CHEMBL4537373
EC Number: 972-855-6

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 8
Formal charge: 0
Complexity: 103

Physicochemical properties

Boiling point: 313.9 · 313.9±15.0 °C(Predicted)
Density: 1.076 · 1.076±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 16.06 · 16.06±0.40(Predicted)
form: liquid
color: Colourless
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 315 · H315-H318-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501
Hazard Codes: Xi
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, 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 CategoriesSkin Corr. 1B (100%)

Safety data

hs_code: 2933998090
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: Xi
Hazard statements: H315-H318-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P310-P332+P313-P362-P403+P233-P405-P501