CAS 29802-22-0 (2S)-N,N-dimethylpyrrolidine-2-carboxamide (HCID 7408249)

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Basic information

CAS: 29802-22-0
Standard SMILES: CN(C)C(=O)[C@@H]1CCCN1
InChIKey: MLLMAIJXIZOSFS-LURJTMIESA-N
Molecular formula: C7H14N2O
Average molar mass: 142.2 g/mol
Monoisotopic mass: 142.11061307

Names & identifiers

Preferred name: (2S)-N,N-dimethylpyrrolidine-2-carboxamide
IUPAC: (2S)-N,N-dimethylpyrrolidine-2-carboxamide
English name: H-Pro-NMe2
Molecular formula: C7H14N2O
Molecular weight: 142.2

Names & synonyms

(2S)-N,N-dimethylpyrrolidine-2-carboxamideRefChem:398687887-453-5H-Pro-NMe229802-22-0(S)-N,N-Dimethylpyrrolidine-2-carboxamideN,N-Dimethyl-L-prolinamideMFCD00083684L-Proline dimethylamideL-PRO-NME2PROLINE-NME2(S)-2-(N,N-dimethylcarbamoyl)pyrrolidine

Show more names

N,N-Dimethylpyrrolidine-2-carboxamideH-Pro-NMeH-PYRD(2)-NME2H-PRO-NME2 USP/EP/BPL-Proline dimethylamide98%

SCHEMBL894617SCHEMBL2440704SCHEMBL3131205DTXSID50428593MLLMAIJXIZOSFS-LURJTMIESA-NAKOS016842962AC-8665GS-5428

Database identifiers

CAS: 29802-22-0
PubChem CID: 7408249
DTXSID: DTXSID50428593
EC Number: 887-453-5
Nikkaji: J1.846.555H

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 134

Physicochemical properties

Boiling point: 250.2 · 250.2±29.0 °C(Predicted)
Density: 1.017 · 1.017±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Powder
pka: 9.18 · 9.18±0.10(Predicted)
Appearance: Colorless to light yellow Liquid
CAS DataBase Reference: 29802 · 29802-22-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22-36
Safety Statements: 26 · 26

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.