3-Amino-3-[4-(benzyloxy)phenyl]propanoic acid

HCID 563374
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Basic information

CAS
330645-19-7
Standard SMILES
NC(CC(=O)O)c1ccc(OCc2ccccc2)cc1
InChIKey
VODMAXQPPKRFPS-UHFFFAOYSA-N
Molecular formula
C16H17NO3
Average molar mass
271.31 g/mol
Monoisotopic mass
271.1208434

Names & identifiers

Preferred name
3-Amino-3-[4-(benzyloxy)phenyl]propanoic acid
IUPAC
3-amino-3-(4-phenylmethoxyphenyl)propanoic acid
English name
3-(P-BENZYLOXYPHENYL)-DL-BETA-ALANINE
Molecular formula
C16H17NO3
Molecular weight
271.31

Names & synonyms

3-amino-3-[4-(benzyloxy)phenyl]propanoic acid330645-19-73-(p-benzyloxyphenyl)-dl-beta-alanineMFCD023347193-amino-3-(4-phenylmethoxyphenyl)propanoic acid3-Amino-3-(4-benzyloxy-phenyl)-propionic acid3-Amino-3-(4-(benzyloxy)phenyl)propanoic acid3-amino-3-[4-(phenylmethoxy)phenyl]propanoic acidOprea1_344523SCHEMBL2995320DL- -(p-Benzyloxyphenyl)alanineDTXSID90954684
Show more names
3-ammonio-3-[4-(benzyloxy)phenyl]propionate3-Amino-2-(4-(benzyloxy)phenyl)propanoic acid3-ammonio-3-[4-(phenylmethoxy)phenyl]propanoatePropanoic acid, 3-amino-3-[(4-benzyloxy)phenyl]-Benzenepropanoic acid, β-amino-4-(phenylmethoxy)-3-azaniumyl-3-[4-(phenylmethoxy)phenyl]propanoateBenzenepropanoic acid, .beta.-amino-4-(phenylmethoxy)-
dl-beta-(p-benzyloxyphenyl)alanineALBB-006683BBL012149SBB001066STK030306AKOS000167340AKOS0160454643-[4-(Benzyloxy)phenyl]-beta-alanine

Database identifiers

CAS
330645-19-7
PubChem CID
563374
DTXSID
DTXSID90954684

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
72.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Physicochemical properties

Melting point
258 · 258-262 °C (decomp)
Boiling point
460.9 · 460.9±45.0 °C(Predicted)
Density
1.219 · 1.219±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
3.73 · 3.73±0.10(Predicted)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers13 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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