Methyl hexahydro-1H-pyrrolizine-7a-carboxylate

HCID 394149
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Basic information

CAS
117375-15-2
Standard SMILES
COC(=O)C12CCCN1CCC2
InChIKey
HBZKVVLPFLBBNV-UHFFFAOYSA-N
Molecular formula
C9H15NO2
Average molar mass
169.22 g/mol
Monoisotopic mass
169.11027872

Names & identifiers

Preferred name
Methyl hexahydro-1H-pyrrolizine-7a-carboxylate
IUPAC
methyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
English name
1H-Pyrrolizine-7a(5H)-carboxylicacid,tetrahydro-,methylester(9CI)
Molecular formula
C9H15NO2
Molecular weight
169.22

Names & synonyms

Methyl hexahydro-1H-pyrrolizine-7a-carboxylate117375-15-2Methyl tetrahydro-1H-pyrrolizine-7a(5H)-carboxylatemethyl 1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylateMFCD10699450NSC6973831H-Pyrrolizine-7a(5H)-carboxylic acid, tetrahydro-, methyl ester1H-PYRROLIZINE-7A(5H)-CARBOXYLICACID,TETRAHYDRO-,METHYLESTER(9CI)7a-(methoxycarbonyl)-hexahydro-1h-pyrrolizineMethyl 5-azabicyclo[3.3.0]octanecarboxylateSCHEMBL6816556CHEMBL2005574
Show more names
Tetrahydro-pyrrolizine-7a-carboxylic acid methyl estertetrahydro-1H-Pyrrolizine-7a(5H)-carboxylic acid Methyl ester
DTXSID80327863WLZ4156HBZKVVLPFLBBNV-UHFFFAOYSA-NAKOS006303437NSC-697383PB14844NCI60_034721PS-17323

Database identifiers

CAS
117375-15-2
PubChem CID
394149
DTXSID
DTXSID80327863
ChEMBL
CHEMBL2005574

Properties

Computed structural properties

XLogP
1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

Boiling point
213.6 · 213.6±23.0 °C(Predicted)
Density
1.12 · 1.12±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
8.82 · 8.82±0.40(Predicted)
Appearance
Colorless to light yellow Liquid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H317
Precautionary statements
P264-P270-P301+P312-P330-P302+P352-P333+P313-P321-P261-P272-P280-P363-P501

Chemistry & industry

Suppliers31 total

南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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