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673-06-3 molecular structure
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(2R)-2-amino-3-phenylpropanoic acid

ChemBase ID: 102685
Molecular Formular: C9H11NO2
Molecular Mass: 165.18914
Monoisotopic Mass: 165.0789786
SMILES and InChIs

SMILES:
N[C@H](Cc1ccccc1)C(=O)O
Canonical SMILES:
N[C@@H](C(=O)O)Cc1ccccc1
InChI:
InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1
InChIKey:
COLNVLDHVKWLRT-MRVPVSSYSA-N

Cite this record

CBID:102685 http://www.chembase.cn/molecule-102685.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2R)-2-amino-3-phenylpropanoic acid
IUPAC Traditional name
D-phenylalanine
Synonyms
H-D-Phe-OH
(2R)-2-amino-3-phenylpropanoic acid
(R)-2-Amino-3-phenylpropionic acid
D-Phenylalanine
D-α-Amino-β-phenyl-propionic acid
D-2-Amino-3-phenylpropionic acid
D-PHENYLALANINE
D-β-PHENYL-α-ALANINE
D-苯丙氨酸
(R)-2-氨基-3-苯丙酸
D-苯基丙氨酸
CAS Number
673-06-3
EC Number
211-603-5
MDL Number
MFCD00004270
Beilstein Number
2804068
Merck Index
147271
PubChem SID
162088496
24887248
24898241
PubChem CID
71567

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.4692297  H Acceptors
H Donor LogD (pH = 5.5) -1.1845678 
LogD (pH = 7.4) -1.1878599  Log P -1.1844385 
Molar Refractivity 45.1163 cm3 Polarizability 17.887253 Å3
Polar Surface Area 63.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Melting Point
~275 °C (dec.) expand Show data source
ca 275°C dec. expand Show data source
Optical Rotation
[α]20/D +34±1°, c = 2% in H2O expand Show data source
+34 (c=2 in water) expand Show data source
Hydrophobicity(logP)
-1.556 expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
AY7533000 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Target
Others expand Show data source
Gene Information
human ... CA1(759), CA14(23632), CA2(760), CA4(762), CA5A(763), CA7(766) expand Show data source
Purity
≥98% (TLC) expand Show data source
≥99.0% (NT) expand Show data source
95% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
puriss. expand Show data source
Salt Data
Free Base expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Ignition Residue
≤0.05% expand Show data source
Quality Level
PREMIUM expand Show data source
Empirical Formula (Hill Notation)
C9H11NO2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05216575 external link
MP Biomedicals Rare Chemical collection
MP Biomedicals - 02102616 external link
Purity:99%
Crystalline
Sigma Aldrich - P1751 external link
Packaging
5, 25, 100 g in poly bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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