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26861-65-4 | 1H-Benzotriazole-1-ethanamine
CAS No: 26861-65-4 Catalog No: AG007MIW MDL No:MFCD06213713
Product Description
Catalog Number:
AG007MIW
Chemical Name:
1H-Benzotriazole-1-ethanamine
CAS Number:
26861-65-4
Molecular Formula:
C8H10N4
Molecular Weight:
162.1918
MDL Number:
MFCD06213713
IUPAC Name:
2-(benzotriazol-1-yl)ethanamine
InChI:
InChI=1S/C8H10N4/c9-5-6-12-8-4-2-1-3-7(8)10-11-12/h1-4H,5-6,9H2
InChI Key:
QDGNXLMOTQABAF-UHFFFAOYSA-N
SMILES:
NCCn1nnc2c1cccc2
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.091g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
162.196g/mol
Monoisotopic Mass:
162.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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