(S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazan

Base Information

• Chemical Name: (S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazan
• CAS No.: 143112-52-1
• Molecular Formula: C10H11 N5 O3
• Molecular Weight: 249.23
• Hs Code.: 2934999090
• European Community (EC) Number: 635-079-6
• DSSTox Substance ID: DTXSID70576808
• Nikkaji Number: J534.012H
• Wikidata: Q82466676
• Mol file: 143112-52-1.mol

Synonyms:143112-52-1;(S)-(+)-NBD-APy;(S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazan;(S)-1-(7-Nitrobenzo[c][1,2,5]oxadiazol-4-yl)pyrrolidin-3-amine;(S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole;(3S)-1-(4-nitro-2,1,3-benzoxadiazol-7-yl)pyrrolidin-3-amine;(S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)benzofurazan;(3S)-1-(7-Nitro-2,1,3-benzoxadiazol-4-yl)pyrrolidin-3-amine;QSDDQXROWUJAJX-LURJTMIESA-N;DTXSID70576808;TQP1002;MFCD00191509;CS-0337273;D88578;J-007744;(S)-(+)-NBD-APy [=(S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] [HPLC Labeling Reagent for e.e. Determination]

Chemical Property of (S)-(+)-4-(3-Amino-pyrrolidino)-7-nitrobenzofurazan

Chemical Property:

• Melting Point: 178-184 °C
• Refractive Index: 14.5 ° (C=0.2, CH3CN)
• PSA: 114.00000
• 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

(S)-(+)-NBD-APy[=(S)-(+)-4-Nitro-7-(3-aminopyrrolidin-1-yl)-2,1,3-benzoxadiazole] ^*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-]