structure of 2-Chloro-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one

2-Chloro-5-methyl-5,7,8,9-tetrahydro-6H-pyrimido[4,5-b][1,4]diazepin-6-one

CAS No.: 1001346-25-3
M. Wt: 212.63600
M. Fa: C8H9ClN4O
InChI Key: ZZQOIEQQIWHICK-UHFFFAOYSA-N

Names and Identifiers of 1001346-25-3

CAS Number

1001346-25-3

MDL Number

MFCD24566462

IUPAC Name

2-chloro-5-methyl-5H,6H,7H,8H,9H-pyrimido[4,5-b][1,4]diazepin-6-one

InChI

InChI=1S/C8H9ClN4O/c1-13-5-4-11-8(9)12-7(5)10-3-2-6(13)14/h4H,2-3H2,1H3,(H,10,11,12)

InChIKey

ZZQOIEQQIWHICK-UHFFFAOYSA-N

Canonical SMILES

CN1C(=O)CCNC2=NC(Cl)=NC=C21

UNSPSC Code

12352100

Physical and chemical properties of 1001346-25-3

Exact Mass

212.04600

H Bond Acceptors

4

H Bond Donors

1

LogP

1.11140

Molecular Formula

C8H9ClN4O

Molecular Weight

212.63600

PSA

58.12000

Safety Information of 1001346-25-3

Pictograms

Signal Word

 Warning

Safety Data Sheet
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