(R)-(-)-1-(7-Nitro-4-benzofurazanyl)-3-pyrrolidinamine

Base Information

• Chemical Name: (R)-(-)-1-(7-Nitro-4-benzofurazanyl)-3-pyrrolidinamine
• CAS No.: 143112-51-0
• Molecular Formula: C10H11 N5 O3
• Molecular Weight: 249.23
• European Community (EC) Number: 677-152-5
• DSSTox Substance ID: DTXSID10576807
• Nikkaji Number: J2.160.264G
• Wikidata: Q76506812
• Mol file: 143112-51-0.mol

Synonyms:143112-51-0;(R)-(-)-NBD-APy;(R)-(-)-1-(7-Nitro-4-benzofurazanyl)-3-pyrrolidinamine;(R)-1-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)pyrrolidin-3-amine;(3R)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine;(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole;(R)-(-)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan;SCHEMBL3034016;DTXSID10576807;QSDDQXROWUJAJX-ZCFIWIBFSA-N;MFCD00191510;CS-0337274;D88579;(r)-4-nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole;(3R)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine;(R)-(-)-NBD-APY [=(R)-(-)-4-NITRO-7-(3-AMINOPYRROLIDIN-1-YL)-2,1,3-BENZOXADIAZOLE]

Chemical Property of (R)-(-)-1-(7-Nitro-4-benzofurazanyl)-3-pyrrolidinamine

Chemical Property:

• Vapor Pressure: 5.37E-09mmHg at 25°C
• Melting Point: ~190 °C (dec.)
• Refractive Index: 1.678
• Boiling Point: 469.7°C at 760 mmHg
• PKA: 8.38±0.20(Predicted)
• Flash Point: 237.9°C
• PSA: 114.00000
• Density: 1.494g/cm³
• LogP: 1.95690
• Storage Temp.: 2-8°C
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 249.08618923
• Heavy Atom Count: 18
• Complexity: 336

Purity/Quality:

98%,99%, ^*data from raw suppliers

(R)-(-)-NBD-APY ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CN(CC1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]
• Isomeric SMILES: C1CN(C[C@@H]1N)C2=CC=C(C3=NON=C23)[N+](=O)[O-]