200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 138625-85-1
138625-85-1 | 1H-1,4-Diazepine-6-methanol, hexahydro-1-methyl-4-(phenylmethyl)-
CAS No: 138625-85-1 Catalog No: AG0018WV MDL No:
Product Description
Catalog Number:
AG0018WV
Chemical Name:
1H-1,4-Diazepine-6-methanol, hexahydro-1-methyl-4-(phenylmethyl)-
CAS Number:
138625-85-1
Molecular Formula:
C14H22N2O
Molecular Weight:
234.3373
IUPAC Name:
(1-benzyl-4-methyl-1,4-diazepan-6-yl)methanol
InChI:
InChI=1S/C14H22N2O/c1-15-7-8-16(11-14(9-15)12-17)10-13-5-3-2-4-6-13/h2-6,14,17H,7-12H2,1H3
InChI Key:
BHOWIGJSWNKFAT-UHFFFAOYSA-N
SMILES:
OCC1CN(CCN(C1)C)Cc1ccccc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.173g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.343g/mol
Monoisotopic Mass:
234.173g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.