N-Methyl-Aniline-d5

CAT: 1596-AR-A06589-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A06589-01Size:10 Units

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CAS Number

619319-96-9

Molecular Formula

C7H4D5N

Molecular Weight

112.19

API Name

Aniline

Chemical Information

n-Methylaniline-2,3,4,5,6-d5

CAS Number	619319-96-9
PubChem CID	12050722
IUPAC Name	2,3,4,5,6-pentadeuterio-N-methylaniline
Molecular Formula	C7H9N
Molecular Weight	112.18
XLogP	1.7
Topological Polar Surface Area	12
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	55

SMILES

[2H]C1=C(C(=C(C(=C1[2H])[2H])NC)[2H])[2H]

InChI

InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/i2D,3D,4D,5D,6D

InChIKey

AFBPFSWMIHJQDM-VIQYUKPQSA-N

Chemical Structure

2D Structure

CAS: 619319-96-9

CID: 12050722

Formula: C7H9N

MW: 112.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	112.18
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	112.104883021
Monoisotopic Mass	112.104883021
Topological Polar Surface Area	12 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	55.4
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-A06616-01	N-Nitroso N-Methyl-4-Methyl-Aniline
AR-A06601-01	N-Nitroso N-Methyl-4-Nitro-Aniline
AR-A06615-01	N-Nitroso N-Methyl-4-Amino-Aniline
AR-B06138-01	Methyl Belinostat-d5
AR-T05453-01	Tolclofos-Methyl-d5
AR-J01004-01	Methyl Jasmonate-d5
AR-J01033-01	Methyl Jasmonate-d5
AR-C07675-01	Methyl trans-Cinnamate-d5 (phenyl-d5)
AR-A06581-01	N-Benzyl-4-[[4- (benzylamino) phenyl]methyl]aniline
AR-F11187-01	Ethyl Methyl Sulfoxide-d5

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