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140401-55-4 | Benzenemethanamine, 3-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS No: 140401-55-4 Catalog No: AG001CCT MDL No:MFCD09260785
Product Description
Catalog Number:
AG001CCT
Chemical Name:
Benzenemethanamine, 3-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS Number:
140401-55-4
Molecular Formula:
C11H18ClN
Molecular Weight:
199.7203
MDL Number:
MFCD09260785
IUPAC Name:
(3-tert-butylphenyl)methanamine
InChI:
InChI=1S/C11H17N/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-7H,8,12H2,1-3H3
InChI Key:
JPETYCDJGPTICO-UHFFFAOYSA-N
SMILES:
NCc1cccc(c1)C(C)(C)C.Cl
Properties
Complexity:
134
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.264g/mol
Monoisotopic Mass:
163.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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