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CAS Number: 32161-02-7
6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ol hydrochloride

Structure

 6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ol hydrochloride
Name: 6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-ol hydrochloride
Synonyms:
General Information
Product Number: 32161027

CAS Registry Number 32161-02-7
(Component: 46001-09-6)
Name:
4H-?Pyrimido[4,?5-?d]?azepin-?4-?one, 3,?5,?6,?7,?8,?9-?hexahydro-?, hydrochloride (1:1)
5H-Pyrimido[4,5-d]azepin-4-ol, 6,7,8,9-tetrahydro-, monohydrochloride (8CI)
6,7,8,9-Tetrahydro-5H-pyrimido[4,5-d]azepin-4-ol monohydrochloride

 

Chemical Formula: C8H12ClN3O
Exact Mass: 201.07
Molecular Weight: 201.65
m/z: 201.07 (100.0%), 203.06 (32.0%), 202.07 (8.8%), 204.07 (2.8%), 202.06 (1.1%)

 

InChI:InChI=1S/C8H11N3O.ClH/c12-8-6-1-3-9-4-2-7(6)10-5-11-8;/h5,9H,1-4H2,(H,10,11,12);1H

InChI Key:KPOVNVXOXJCIKF-UHFFFAOYSA-N

Canonical SMILES:C1CNCCC2=C1C(=O)N=CN2.Cl

Specification

98%
References

PCT Int. Appl. (2007), WO 2007109355 A2 20070927. 
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