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1639-31-2 | Benzenamine, 3,4,5-trimethyl-
CAS No: 1639-31-2 Catalog No: AG001UJ1 MDL No:MFCD00130022
Product Description
Catalog Number:
AG001UJ1
Chemical Name:
Benzenamine, 3,4,5-trimethyl-
CAS Number:
1639-31-2
Molecular Formula:
C9H13N
Molecular Weight:
135.2062
MDL Number:
MFCD00130022
IUPAC Name:
3,4,5-trimethylaniline
InChI:
InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
InChI Key:
BXCUMAUHMPSRPZ-UHFFFAOYSA-N
SMILES:
Nc1cc(C)c(c(c1)C)C
EC Number:
216-679-3
NSC Number:
403297
Properties
Complexity:
99.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.105g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
135.21g/mol
Monoisotopic Mass:
135.105g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| A new compound, jolynamine, from marine brown alga Jolyna laminarioides. | Natural product research 20110501 |
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