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166904-37-6 | N-[(4,5-dihydro-1H-imidazol-2-yl)methyl]aniline dihydrochloride
CAS No: 166904-37-6 Catalog No: AG01ELMI MDL No:MFCD31615590
Product Description
Catalog Number:
AG01ELMI
Chemical Name:
N-[(4,5-dihydro-1H-imidazol-2-yl)methyl]aniline dihydrochloride
CAS Number:
166904-37-6
Molecular Formula:
C10H15Cl2N3
Molecular Weight:
248.1522
MDL Number:
MFCD31615590
IUPAC Name:
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline;dihydrochloride
InChI:
InChI=1S/C10H13N3.2ClH/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10;;/h1-5,13H,6-8H2,(H,11,12);2*1H
InChI Key:
ZWCHZPOTPFIFKS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCC1=NCCN1.Cl.Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.064g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
248.151g/mol
Monoisotopic Mass:
247.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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