CAS 4736-71-4 1-Pyrrolidinecarboxamide (HCID 138335)

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Basic information

CAS: 4736-71-4
Standard SMILES: NC(=O)N1CCCC1
InChIKey: LCDCPQHFCOBUEF-UHFFFAOYSA-N
Molecular formula: C5H10N2O
Average molar mass: 114.15 g/mol
Monoisotopic mass: 114.07931295

Names & identifiers

Preferred name: 1-Pyrrolidinecarboxamide
IUPAC: pyrrolidine-1-carboxamide
English name: PYRROLIDINE-1-CARBOXYLIC ACID AMIDE
Molecular formula: C5H10N2O
Molecular weight: 114.15

Names & synonyms

pyrrolidine-1-carboxamide4736-71-41-PyrrolidinecarboxamideDTXSID30197119NSC 117254RefChem:436519DTXCID90119610855-149-1Pyrrolidine-1-carboxylic acid amideMFCD00509172pyrrolidine carboxamidepyrroldineamide

Show more names

pyrrolidineamidepyrrolidine amideNSC117254pyrrolidine carboxarnideSCHEMBL302275SCHEMBL302276SCHEMBL1363715SCHEMBL1363716

Database identifiers

CAS: 4736-71-4
PubChem CID: 138335
DTXSID: DTXSID30197119
EC Number: 855-149-1
Nikkaji: J410.772A

Properties

Computed structural properties

XLogP: -0.2
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 96

Physicochemical properties

Melting point: 218 °C · 218 °C
Boiling point: 207.7 · 207.7±23.0 °C(Predicted)
Density: 1.162 · 1.162±0.06 g/cm3(Predicted)
pka: 14.77 · 14.77±0.20(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, 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 Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2933998090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362