(2R)-2-amino-3-phenylpropanamide

HCID 7000171

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Basic information

CAS: 5241-59-8
Standard SMILES: NC(=O)[C@H](N)Cc1ccccc1
InChIKey: OBSIQMZKFXFYLV-MRVPVSSYSA-N
Molecular formula: C9H12N2O
Average molar mass: 164.2 g/mol
Monoisotopic mass: 164.094963

Names & identifiers

Preferred name: (2R)-2-amino-3-phenylpropanamide
IUPAC: (2R)-2-amino-3-phenylpropanamide
English name: H-D-PHE-NH2
Molecular formula: C9H12N2O
Molecular weight: 164.2

Names & synonyms

(2R)-2-amino-3-phenylpropanamideRefChem:397173875-164-75241-59-8D-Phenylalaninamide(R)-2-Amino-3-phenylpropanamideH-D-PHE-NH2D-phenylalanine amide(2R)-2-Amino-3-phenylpropionyl AmideMFCD00077152Phenylalaninamide, D-(R)-2-Amino-3-phenylpropionamide

Show more names

D-PHENYLALANINE-NH2(R)-α-AMino-hydrocinnaMaMide(αR)-α-AMino-benzenepropanaMideD-Phenylalanine amide≥ 99% (HPLC)BenzenepropanaMide, a-aMino-, (R)-Benzenepropanamide, α-amino-, (αR)-(R)-2-Amino-3-phenylpropionyl amide

AK86OOL9GUH-D-Phe-NHUNII-AK86OOL9GUBenzenepropanamide, alpha-amino-, (alphaR)-H-D-Phe-NH2, AldrichCPR(R)-a-Amino-hydrocinnamamideSCHEMBL353251SCHEMBL7722345

Database identifiers

CAS: 5241-59-8
PubChem CID: 7000171
DTXSID: DTXSID70426470
UNII: AK86OOL9GU
EC Number: 875-164-7
Nikkaji: J353.966K

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 69.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 153

Physicochemical properties

Melting point: 234 · 234-237 °C (decomp)
Boiling point: 356.9 · 356.9±35.0 °C(Predicted)
Density: 1.143 · 1.143±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform (Slightly, Heated), Methanol (Slightly)
pka: 15.85 · 15.85±0.50(Predicted)
form: Solid
color: Light Yellow
optical activity: Consistent with structure
CAS DataBase Reference: 5241 · 5241-59-8
FDA UNII: 86 OOL9GU · AK86OOL9GU
UNSPSC Code: 12352200 · 12352200
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.