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76721-87-4 | 1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI)
CAS No: 76721-87-4 Catalog No: AG005IIX MDL No:
Product Description
Catalog Number:
AG005IIX
Chemical Name:
1H-Imidazole-4-ethanamine,N,a-dimethyl-, (aR)- (9CI)
CAS Number:
76721-87-4
Molecular Formula:
C7H13N3
Molecular Weight:
139.1982
IUPAC Name:
(2R)-1-(1H-imidazol-5-yl)-N-methylpropan-2-amine
InChI:
InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)/t6-/m1/s1
InChI Key:
BQWFLRWCZCMTOU-ZCFIWIBFSA-N
SMILES:
CC(NC)Cc1c[nH]cn1
Properties
Complexity:
94.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
139.111g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
139.202g/mol
Monoisotopic Mass:
139.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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