3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid

HCID 602000
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Basic information

CAS
54503-18-3
Standard SMILES
CCOc1ccc(C(N)CC(=O)O)cc1OC
InChIKey
OOKYWAXNZYBZER-UHFFFAOYSA-N
Molecular formula
C12H17NO4
Average molar mass
239.27 g/mol
Monoisotopic mass
239.11575802

Names & identifiers

Preferred name
3-Amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
IUPAC
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
English name
3-AMINO-3-(4-ETHOXY-3-METHOXYPHENYL)PROPANOIC ACID
Molecular formula
C12H17NO4
Molecular weight
239.27

Names & synonyms

3-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid54503-18-33-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid hydrochlorideMFCD02140239Cambridge id 7115210Oprea1_676935SCHEMBL2992087DTXSID00345125HMS5204N05ALBB-006666SBB001792STK501139
Show more names
RARECHEM AK HW 02463-(4-Ethoxy-3-methoxyphenyl)-beta-alanine(R)-3-(1-aminopropyl)-5-fluorobenzonitrile3-ammonio-3-(4-ethoxy-3-methoxyphenyl)propanoate3-ammonio-3-(4-ethoxy-3-methoxy-phenyl)propionateBenzenepropanoic acid, β-amino-4-ethoxy-3-methoxy-3-azaniumyl-3-(4-ethoxy-3-methoxyphenyl)propanoate3-amino-3-(4-ethoxy-3-methoxy-phenyl)propionic acid3-azaniumyl-3-(4-ethoxy-3-methoxy-phenyl)propanoate
AKOS000266575AKOS016045159ST4083818CS-0299267EU-00332603-(4-Ethoxy-3-methoxyphenyl)-beta-alanine #EN300-18436893W-0831

Database identifiers

CAS
54503-18-3
PubChem CID
602000
DTXSID
DTXSID00345125

Properties

Computed structural properties

XLogP
-1.7
Topological polar surface area
81.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
17

Physicochemical properties

Melting point
232 · 232-235°C
HazardClass
IRRITANT

Safety & regulation

Safety data

hazard_class
IRRITANT

Chemistry & industry

Suppliers7 total

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
北京蓝博中兴科技有限公司010-56330744 15210344275 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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