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88707-93-1 | 1H-1,5-Benzodiazepine-1,5(2H)-diethanol, octahydro-2,2-dimethyl-
CAS No: 88707-93-1 Catalog No: AG0046DR MDL No:
Product Description
Catalog Number:
AG0046DR
Chemical Name:
1H-1,5-Benzodiazepine-1,5(2H)-diethanol, octahydro-2,2-dimethyl-
CAS Number:
88707-93-1
Molecular Formula:
C15H30N2O2
Molecular Weight:
270.4109
IUPAC Name:
2-[5-(2-hydroxyethyl)-4,4-dimethyl-2,3,5a,6,7,8,9,9a-octahydrobenzo[b][1,4]diazepin-1-yl]ethanol
InChI:
InChI=1S/C15H30N2O2/c1-15(2)7-8-16(9-11-18)13-5-3-4-6-14(13)17(15)10-12-19/h13-14,18-19H,3-12H2,1-2H3
InChI Key:
HCGWUMBJWXQGCM-UHFFFAOYSA-N
SMILES:
OCCN1CCC(N(C2C1CCCC2)CCO)(C)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.231g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.417g/mol
Monoisotopic Mass:
270.231g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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