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N-Isopropylaniline-d6

CAT: 0926-SCA69991-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-SCA69991-01Size:25 mg
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CAS Number
67699-91-6
Smiles
CC (C) NC1=CC=CC=C1
Molecular Formula
C9H13N
Molecular Weight
141.24 g/mol
Controlled
No

Chemical Information

N-Isopropylaniline

N-isopropylaniline is a clear brown liquid. (NTP, 1992)

CAS Number67699-91-6
PubChem CID13032
IUPAC NameN-propan-2-ylaniline
Molecular FormulaC9H13N
Molecular Weight135.21
XLogP2.5
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity82
SMILES
CC(C)NC1=CC=CC=C1
InChI
InChI=1S/C9H13N/c1-8(2)10-9-6-4-3-5-7-9/h3-8,10H,1-2H3
InChIKey
FRCFWPVMFJMNDP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Isopropylaniline
CAS: 67699-91-6
CID: 13032
Formula: C9H13N
MW: 135.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.21
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass135.104799419
Monoisotopic Mass135.104799419
Topological Polar Surface Area12 Ų
Heavy Atom Count10
Formal Charge0
Complexity82.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
459257N-Isopropylaniline-d6
459255-01N-Isopropylaniline
TRC-I824181-50MGN-Isopropylaniline-d5
sc-489354N-Isopropylaniline-d7
sc-236035N-Ethyl-N-isopropylaniline
AR-N08199-01N-Nitroso-N-Isopropylaniline
OR1038050-014-Chloro-N-isopropylaniline
sc-290093A4-Bromo-N-isopropylaniline
sc-4834844-Fluoro-N-isopropylaniline
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