Home Aminos 2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetic acid hydrochloride

2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetic acid hydrochloride

CAS No.:
1423033-39-9
Catalog Number:
AG01A2BO
Molecular Formula:
C9H16ClN3O2
Molecular Weight:
233.6952
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Product Description
Catalog Number:
AG01A2BO
Chemical Name:
2-(5-amino-3-tert-butyl-1H-pyrazol-1-yl)acetic acid hydrochloride
CAS Number:
1423033-39-9
Molecular Formula:
C9H16ClN3O2
Molecular Weight:
233.6952
MDL Number:
MFCD22578514
IUPAC Name:
2-(5-amino-3-tert-butylpyrazol-1-yl)acetic acid;hydrochloride
InChI:
InChI=1S/C9H15N3O2.ClH/c1-9(2,3)6-4-7(10)12(11-6)5-8(13)14;/h4H,5,10H2,1-3H3,(H,13,14);1H
InChI Key:
MVCVHQXBTQLLKI-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1nc(cc1N)C(C)(C)C.Cl
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.093g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
233.696g/mol
Monoisotopic Mass:
233.093g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties