Methyl 4-(pyrrolidin-1-ylmethyl)benzoate

HCID 756589
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Basic information

CAS
160598-45-8
Standard SMILES
COC(=O)c1ccc(CN2CCCC2)cc1
InChIKey
HWBHHIBLFOMXJM-UHFFFAOYSA-N
Molecular formula
C13H17NO2
Average molar mass
219.284 g/mol
Monoisotopic mass
219.12592878

Names & identifiers

Preferred name
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
IUPAC
Methyl 4-[(pyrrolidin-1-yl)methyl]benzoate
English name
Methyl 4-(pyrrolidin-1-ylmethyl)benzoate
Molecular formula
C13H17NO2
Molecular weight
219.28

Names & synonyms

Oxirane, 2-[4-(phenylMethoxy)ethyl]-Methyl 4-(pyrrolidin-1-ylmethyl)benzoateBenzoic acid, 4-(1-pyrrolidinylmethyl)-, methyl ester

Database identifiers

CAS
160598-45-8
PubChem CID
756589
DTXSID
DTXSID20353868
ChEMBL
CHEMBL5492759
EC Number
691-426-1
Nikkaji
J2.058.752K

Properties

Physicochemical properties

Boiling point
313 · 313.0±25.0 °C(Predicted)
Density
1.118 · 1.118±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.34 · 9.34±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

hs_code
2916310090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H312-H332-H302
Precautionary statements
P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P261-P271-P304+P340-P312

Chemistry & industry

Suppliers16 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070

Related reactions

7 records
New reaction record

Compound notes

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