Basic information
- CAS
91176-91-9- Standard SMILES
CC(=O)N[C@@H](Cc1ccccc1[N+](=O)[O-])C(=O)O- InChIKey
UKBCRYALIRJOEH-VIFPVBQESA-N- Molecular formula
- C11H12N2O5
- Average molar mass
- 252.22 g/mol
Names & identifiers
- Preferred name
- (2S)-2-acetamido-3-(2-nitrophenyl)propanoic acid
- IUPAC
- (2S)-2-acetamido-3-(2-nitrophenyl)propanoic acid
- English name
- Phenylalanine, N-acetyl-2-nitro-
- Molecular formula
- C11H12N2O5
- Molecular weight
- 252.22
Names & synonyms
(2S)-2-acetamido-3-(2-nitrophenyl)propanoic acid35987-85-091176-91-9N-Acetyl-2-nitrophenylalanineSCHEMBL7420624DB-404074EN300-19321957Phenylalanine, N-acetyl-2-nitro-
Database identifiers
- CAS
91176-91-9- Nikkaji
- J982.024H
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Boiling point
- 525.1 · 525.1±45.0 °C(Predicted)
- Density
- 1.366 · 1.366±0.06 g/cm3(Predicted)
- pka
- 3.37 · 3.37±0.11(Predicted)
Chemistry & industry
Suppliers11 total
上海策嵘生物科技有限公司[email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
山东轩鸿生物医药有限公司+86-0531-88801869 15090917080 · [email protected]
南京熙朗化工产品有限公司18936048580 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
河南卓凡化工有限公司15638881523 · [email protected]
淄博航宇生物科技发展有限公司+86-0533-2185556 +86-15965530500 · [email protected]
郑州灵之悦科技有限公司+86-0371-55074660 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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