Decahydro-isoquinoline-1-carboxylic acid

HCID 5232405CAS 169390-26-5
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C1NCCC2CCCCC21
InChIKey
VVWUWTAURHNLGY-UHFFFAOYSA-N
Molecular formula
C10H17NO2
Average molar mass
183.25 g/mol
Monoisotopic mass
183.12592878

Names & identifiers

Preferred name
Decahydro-isoquinoline-1-carboxylic acid
IUPAC
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxylic acid
English name
Decahydro-isoquinoline-1-carboxylic acid
Molecular formula
C10H17NO2
Molecular weight
183.25

Names & synonyms

169390-26-5Decahydro-isoquinoline-1-carboxylic acidDTXSID60411890RefChem:336683DTXCID10362742Decahydroisoquinoline-1-carboxylic acid1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxylic AcidMFCD07367720SCHEMBL444651VVWUWTAURHNLGY-UHFFFAOYSA-Ndecahydroisoquinoline carboxylic acidperhydro-1-isoquinolinecarboxylic acid
Show more names
1-Isoquinolinecarboxylic acid, decahydro-
AKOS006285314DB-369996D40010EN300-762994H54373

Database identifiers

CAS
169390-26-5
PubChem CID
5232405
DTXSID
DTXSID60411890

Properties

Computed structural properties

XLogP
-0.5
Topological polar surface area
49.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
333.4 · 333.4±25.0 °C(Predicted)
Density
1.099 · 1.099±0.06 g/cm3(Predicted)
pka
2.49 · 2.49±0.20(Predicted)
Risk Statements
36 · 36
Safety Statements
26 · 26

Safety & regulation

Safety data

risk_code
36
safety_code
26

Chemistry & industry

Suppliers6 total

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
江苏药泽医药科技有限公司18962082606 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

Related reactions

6 records
New reaction record

Linked notes

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