3-Nitro-L-phenylalanine
Properties
- Molecular formula
- C9H10N2O4
- Molar mass
- 210.19 g/mol
- Exact mass
- 210.0641 Da
- logP
- 0.55Crippen estimate
- Polar surface area
- 106.5 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 4
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
19883-74-0SMILES
N[C@@H](Cc1cccc([N+](=O)[O-])c1)C(=O)OInChIKey
YTHDRUZHNYKZGF-QMMMGPOBSA-NInChI
InChI=1S/C9H10N2O4/c10-8(9(12)13)5-6-2-1-3-7(4-6)11(14)15/h1-4,8H,5,10H2,(H,12,13)/t8-/m0/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- L-Phenylalanine, 3-nitro-
- Alanine, 3-(m-nitrophenyl)-, L-
- NSC 21948
- (2S)-2-Azaniumyl-3-(3-nitrophenyl)propanoate
Work with 3-Nitro-L-phenylalanine
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
P-Nitrophenylalanine949-99-572 % similar
4-Nitro-L-phenylalanine monohydrate207591-86-467 % similar
Nitrotyrosine621-44-365 % similar
3,5-Dinitro-L-tyrosine17360-11-162 % similar
L-M-Tyrosine587-33-761 % similar
DL-m-Tyrosine775-06-461 % similar
3-Fluoro-D-phenylalanine110117-84-560 % similar
3-Fluoro-L-phenylalanine19883-77-360 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds