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21091-66-7 | 1H-1,4-Diazepin-1-amine, hexahydro-4-methyl-
CAS No: 21091-66-7 Catalog No: AG002L23 MDL No:MFCD18457659
Product Description
Catalog Number:
AG002L23
Chemical Name:
1H-1,4-Diazepin-1-amine, hexahydro-4-methyl-
CAS Number:
21091-66-7
Molecular Formula:
C6H15N3
Molecular Weight:
129.2034
MDL Number:
MFCD18457659
IUPAC Name:
4-methyl-1,4-diazepan-1-amine
InChI:
InChI=1S/C6H15N3/c1-8-3-2-4-9(7)6-5-8/h2-7H2,1H3
InChI Key:
CSKAHKYQYIVOIM-UHFFFAOYSA-N
SMILES:
CN1CCCN(CC1)N
Properties
Complexity:
84.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.127g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.207g/mol
Monoisotopic Mass:
129.127g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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