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88707-92-0 | 1H-1,5-Benzodiazepine-1,5(2H)-diethanol, octahydro-2,2,4-trimethyl-
CAS No: 88707-92-0 Catalog No: AG0046GD MDL No:
Product Description
Catalog Number:
AG0046GD
Chemical Name:
1H-1,5-Benzodiazepine-1,5(2H)-diethanol, octahydro-2,2,4-trimethyl-
CAS Number:
88707-92-0
Molecular Formula:
C16H32N2O2
Molecular Weight:
284.4375
IUPAC Name:
2-[5-(2-hydroxyethyl)-2,4,4-trimethyl-2,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-1-yl]ethanol
InChI:
InChI=1S/C16H32N2O2/c1-13-12-16(2,3)18(9-11-20)15-7-5-4-6-14(15)17(13)8-10-19/h13-15,19-20H,4-12H2,1-3H3
InChI Key:
NVNMRAMFEKVUFX-UHFFFAOYSA-N
SMILES:
OCCN1C(C)CC(N(C2C1CCCC2)CCO)(C)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.246g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.444g/mol
Monoisotopic Mass:
284.246g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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