3-Isopropylaniline - CAS 5369-16-4

Catalog:	BB028324
Product Name:	3-Isopropylaniline
CAS:	5369-16-4
Synonyms:	3-propan-2-ylaniline; 3-propan-2-ylaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	3-propan-2-ylaniline
Description:	3-Isopropylaniline (CAS# 5369-16-4) is a useful research chemical.
Molecular Weight:	135.21
Molecular Formula:	C9H13N
Canonical SMILES:	CC(C)C1=CC(=CC=C1)N
InChI:	InChI=1S/C9H13N/c1-7(2)8-4-3-5-9(10)6-8/h3-7H,10H2,1-2H3
InChI Key:	XCCNRBCNYGWTQX-UHFFFAOYSA-N
Boiling Point:	101-103 °C / 15 mmHg
Density:	0.96 g/cm³
MDL:	MFCD00092918
LogP:	2.97340

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Complexity:	98.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.104799419
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	135.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2