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2690-84-8 | 2-BENZOTRIAZOL-1-YL-ETHYLAMINE HCL
CAS No: 2690-84-8 Catalog No: AG00BCU1 MDL No:MFCD06739061
Product Description
Catalog Number:
AG00BCU1
Chemical Name:
2-BENZOTRIAZOL-1-YL-ETHYLAMINE HCL
CAS Number:
2690-84-8
Molecular Formula:
C8H11ClN4
Molecular Weight:
198.6527
MDL Number:
MFCD06739061
IUPAC Name:
2-(benzotriazol-1-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C8H10N4.ClH/c9-5-6-12-8-4-2-1-3-7(8)10-11-12;/h1-4H,5-6,9H2;1H
InChI Key:
OXHKIAMMEZKUST-UHFFFAOYSA-N
SMILES:
NCCn1nnc2c1cccc2.Cl
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.067g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.654g/mol
Monoisotopic Mass:
198.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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