Home Other Building Blocks 4-(1H-1,2,4-triazol-1-yl)butan-2-amine

4-(1H-1,2,4-triazol-1-yl)butan-2-amine

CAS No.:
1039928-99-8
Catalog Number:
AG019YB1
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
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Product Description
Catalog Number:
AG019YB1
Chemical Name:
4-(1H-1,2,4-triazol-1-yl)butan-2-amine
CAS Number:
1039928-99-8
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
MDL Number:
MFCD11188799
IUPAC Name:
4-(1,2,4-triazol-1-yl)butan-2-amine
InChI:
InChI=1S/C6H12N4/c1-6(7)2-3-10-5-8-4-9-10/h4-6H,2-3,7H2,1H3
InChI Key:
ODGGHRYHUQOMIE-UHFFFAOYSA-N
SMILES:
CC(CCn1cncn1)N
Properties
Complexity:
95.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.106g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.19g/mol
Monoisotopic Mass:
140.106g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties