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131847-40-0 | Isoquinoline, decahydro-1-(1-pyrrolidinylmethyl)-
CAS No: 131847-40-0 Catalog No: AG000ZTC MDL No:
Product Description
Catalog Number:
AG000ZTC
Chemical Name:
Isoquinoline, decahydro-1-(1-pyrrolidinylmethyl)-
CAS Number:
131847-40-0
Molecular Formula:
C14H26N2
Molecular Weight:
222.3696
IUPAC Name:
1-(pyrrolidin-1-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
InChI:
InChI=1S/C14H26N2/c1-2-6-13-12(5-1)7-8-15-14(13)11-16-9-3-4-10-16/h12-15H,1-11H2
InChI Key:
WYMMZJPKJFWTSS-UHFFFAOYSA-N
SMILES:
C1CCC2C(C1)C(NCC2)CN1CCCC1
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.21g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.376g/mol
Monoisotopic Mass:
222.21g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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