Home Other Building Blocks 3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine hydrochloride

3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine hydrochloride

CAS No.:
1354949-68-0
Catalog Number:
AG019RR4
Molecular Formula:
C10H19ClN4
Molecular Weight:
230.7377
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Product Description
Catalog Number:
AG019RR4
Chemical Name:
3-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}propan-1-amine hydrochloride
CAS Number:
1354949-68-0
Molecular Formula:
C10H19ClN4
Molecular Weight:
230.7377
MDL Number:
MFCD20441636
IUPAC Name:
3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C10H18N4.ClH/c11-7-4-6-10-13-12-9-5-2-1-3-8-14(9)10;/h1-8,11H2;1H
InChI Key:
LKAMQLMMUSMBCO-UHFFFAOYSA-N
SMILES:
NCCCc1nnc2n1CCCCC2.Cl
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.13g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
230.74g/mol
Monoisotopic Mass:
230.13g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties