5-Aminoisoquinoline-3-carboxylic acid

HCID 20515652
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Basic information

CAS
80066-71-3
Standard SMILES
Nc1cccc2cnc(C(=O)O)cc12
InChIKey
BUAXJCKIRCBFJJ-UHFFFAOYSA-N
Molecular formula
C10H8N2O2
Average molar mass
188.18 g/mol
Monoisotopic mass
188.0585775

Names & identifiers

Preferred name
5-Aminoisoquinoline-3-carboxylic acid
IUPAC
5-aminoisoquinoline-3-carboxylic acid
English name
3-Isoquinolinecarboxylicacid,5-amino-(9CI)
Molecular formula
C10H8N2O2
Molecular weight
188.18

Names & synonyms

5-Aminoisoquinoline-3-carboxylic acid80066-71-35-Amino-3-isoquinolinecarboxylic acid3-Isoquinolinecarboxylicacid,5-amino-(9CI)SCHEMBL11255211DTXSID10608298BUAXJCKIRCBFJJ-UHFFFAOYSA-N5-Aminoisoquinoline-3-carboxylicacidMFCD11109652AKOS006309808AS-65513CS-0270751
Show more names
3-Isoquinolinecarboxylic acid, 5-amino-
EN300-153305W19058

Database identifiers

CAS
80066-71-3
PubChem CID
20515652
DTXSID
DTXSID10608298

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
76.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

storage temp.
2 · 2-8°C
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
280 · P280-P305+P351+P338

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers8 total

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121
赛纳斯特化学（欢迎点击联系）021-60343070
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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