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2177263-54-4 | tert-butyl 2-imino-4,6,7,8-tetrahydro-1H-pyrazolo[1,5-a][1,4]diazepine-5(2H)-carboxylate hydrochloride
CAS No: 2177263-54-4 Catalog No: AG01FLFE MDL No:MFCD28992125
Product Description
Catalog Number:
AG01FLFE
Chemical Name:
tert-butyl 2-imino-4,6,7,8-tetrahydro-1H-pyrazolo[1,5-a][1,4]diazepine-5(2H)-carboxylate hydrochloride
CAS Number:
2177263-54-4
MDL Number:
MFCD28992125
IUPAC Name:
tert-butyl 2-amino-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate;hydrochloride
InChI:
InChI=1S/C12H20N4O2.ClH/c1-12(2,3)18-11(17)15-5-4-6-16-9(8-15)7-10(13)14-16;/h7H,4-6,8H2,1-3H3,(H2,13,14);1H
InChI Key:
KGLOOSUQQRVUBV-UHFFFAOYSA-N
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.135g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.776g/mol
Monoisotopic Mass:
288.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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