2-Toluidine-d7

CAT: 0024-sc-213912Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-213912Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

68408-22-0

Chemical Information

2-Toluidine-d7

See also: O-Toluidine (annotation moved to).

CAS Number	68408-22-0
PubChem CID	45040548
IUPAC Name	2,3,4,5-tetradeuterio-6-(trideuteriomethyl)aniline
Molecular Formula	C7H9N
Molecular Weight	114.20
XLogP	1.3
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	70

SMILES

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

InChI

InChI=1S/C7H9N/c1-6-4-2-3-5-7(6)8/h2-5H,8H2,1H3/i1D3,2D,3D,4D,5D

InChIKey

RNVCVTLRINQCPJ-AAYPNNLASA-N

Chemical Structure

2D Structure

CAS: 68408-22-0

CID: 45040548

Formula: C7H9N

MW: 114.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	114.20
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	114.117436513
Monoisotopic Mass	114.117436513
Topological Polar Surface Area	26 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	70.8
Isotope Atom Count	7
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