Methyl 3-[4-(aminomethyl)phenyl]propionate

HCID 413297
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Basic information

CAS
100511-78-2
Standard SMILES
COC(=O)CCc1ccc(CN)cc1
InChIKey
OQZWLJLXFNYXKR-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol
Monoisotopic mass
193.11027872

Names & identifiers

Preferred name
Methyl 3-[4-(aminomethyl)phenyl]propionate
IUPAC
methyl 3-[4-(aminomethyl)phenyl]propanoate
English name
Methyl 3-[4-(aminomethyl)phenyl]propionate
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

100511-78-2Methyl 3-[4-(aminomethyl)phenyl]propionatemethyl 3-[4-(aminomethyl)phenyl]propanoatemethyl 3-(4-(aminomethyl)phenyl)propanoate3-(4-Aminomethyl-phenyl)-propionic acid methyl esterNSC 46327Benzenepropanoic acid, 4-(aminomethyl)-, methyl esterSCHEMBL2851609DTXSID60328696OQZWLJLXFNYXKR-UHFFFAOYSA-NSBB0523964-(2-methoxycarbonylethyl)benzylamine
Show more names
methyl 3-(4-aminomethylphenyl)propanoate
AKOS015890606SB30060TS-00278CS-0034234ST50407682F16395EN300-17225513-(4-Aminomethylphenyl)propionic acid methyl ester

Database identifiers

CAS
100511-78-2
PubChem CID
413297
DTXSID
DTXSID60328696
Nikkaji
J3.344.023E

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
52.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Boiling point
299.4 · 299.4±20.0 °C(Predicted)
Density
1.081 · 1.081±0.06 g/cm3(Predicted)
pka
9.13 · 9.13±0.10(Predicted)

Chemistry & industry

Suppliers35 total

广州诚创生物科技有限公司18027266590 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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