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Home Other Building Blocks [5-(1H-1,2,4-TRIAZOL-3-YL)OXOLAN-2-YL]METHANAMINE, Mixture of diastereomers

[5-(1H-1,2,4-TRIAZOL-3-YL)OXOLAN-2-YL]METHANAMINE, Mixture of diastereomers

CAS No.:
1526342-93-7
Catalog Number:
AG01DT7B
Molecular Formula:
C7H12N4O
Molecular Weight:
168.1964
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Product Description
Catalog Number:
AG01DT7B
Chemical Name:
[5-(1H-1,2,4-TRIAZOL-3-YL)OXOLAN-2-YL]METHANAMINE, Mixture of diastereomers
CAS Number:
1526342-93-7
Molecular Formula:
C7H12N4O
Molecular Weight:
168.1964
MDL Number:
MFCD23810678
IUPAC Name:
[5-(1H-1,2,4-triazol-5-yl)oxolan-2-yl]methanamine
InChI:
InChI=1S/C7H12N4O/c8-3-5-1-2-6(12-5)7-9-4-10-11-7/h4-6H,1-3,8H2,(H,9,10,11)
InChI Key:
FJSJWRCPRRPRTC-UHFFFAOYSA-N
SMILES:
NCC1CCC(O1)c1n[nH]cn1
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.101g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
168.2g/mol
Monoisotopic Mass:
168.101g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
76.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties