200,000+ products from a single source!
sales@angenechem.com
210416-45-8 | 2H-Pyrrol-5-amine, 3,4-dihydro-3-methyl-2-pentyl-, (2R,3R)-
CAS No: 210416-45-8 Catalog No: AG002KRW MDL No:
Product Description
Catalog Number:
AG002KRW
Chemical Name:
2H-Pyrrol-5-amine, 3,4-dihydro-3-methyl-2-pentyl-, (2R,3R)-
CAS Number:
210416-45-8
Molecular Formula:
C10H20N2
Molecular Weight:
168.2792
IUPAC Name:
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
InChI:
InChI=1S/C10H20N2/c1-3-4-5-6-9-8(2)7-10(11)12-9/h8-9H,3-7H2,1-2H3,(H2,11,12)/t8-,9-/m1/s1
InChI Key:
ROPYVXBCVYBUPM-RKDXNWHRSA-N
SMILES:
C[C@@H]1CC(=N[C@@H]1CCCCC)N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.163g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.284g/mol
Monoisotopic Mass:
168.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Computer modeling of selective regions in the active site of nitric oxide synthases: implication for the design of isoform-selective inhibitors. | Journal of medicinal chemistry 20031218 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.