CAS 62937-45-5 Prolinamide, D- (HCID 447554)

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Basic information

CAS: 62937-45-5
Standard SMILES: NC(=O)[C@H]1CCCN1
InChIKey: VLJNHYLEOZPXFW-SCSAIBSYSA-N
Molecular formula: C5H10N2O
Average molar mass: 114.15 g/mol
Monoisotopic mass: 114.07931294

Names & identifiers

Preferred name: Prolinamide, D-
IUPAC: (2R)-pyrrolidine-2-carboxamide
English name: D-Prolinamide
Molecular formula: C5H10N2O
Molecular weight: 114.15

Names & synonyms

D-Prolinamide62937-45-5(2R)-pyrrolidine-2-carboxamide2-PYRROLIDINECARBOXAMIDE, (2R)-Prolinamide, D-QF49N0MKS3DTXSID60332253RefChem:868585DTXCID10283347(2R)-2-PYRROLIDINECARBOXAMIDE613-116-7h-d-pro-nh2

Show more names

(2S)-Pyrrolidine-2-carboxamideD-ProNH2D-ProlimideD-PROLINE-NH2H-D-PYRD(2)-NH2

(R)-Prolinamide(R)-pyrrolidine-2-carboxamideD-PROLINE AMIDEd-pro-nh2MFCD001534571245536-90-6(R)-PYRROLIDINE-2-CARBOXYLIC ACID AMIDEUNII-QF49N0MKS3

Database identifiers

CAS: 62937-45-5
PubChem CID: 447554
DTXSID: DTXSID60332253
UNII: QF49N0MKS3
EC Number: 613-116-7
Nikkaji: J1.754.635J

Properties

Computed structural properties

XLogP: -0.9
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

Melting point: 95 · 95-97°C
Boiling point: 303.6 · 303.6±31.0 °C(Predicted)
Density: 1.106 · 1.106±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
solubility: DMSO, Ethanol
form: Solid
pka: 16.21 · 16.21±0.20(Predicted)
color: Off-White
optical activity: 110 · [α]/D +110±3°, c = 2 in ethanol
Water Solubility: Soluble in water.
BRN: 471499 · 471499
InChI: 1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m1/s1
InChIKey: VLJNHYLEOZPXFW-SCSAIBSYSA-N
SMILES: NC(=O)[C@H]1CCCN1
CAS DataBase Reference: 62937 · 62937-45-5(CAS DataBase Reference)
FDA UNII: 49 N0MKS3 · QF49N0MKS3

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.

Warning

H315 (75%): Causes skin irritation [Warning Skin corrosion/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)

Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (75%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29339900
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 24/25
Storage Class: 13 - Non Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313