2,3-Diaminotoluene-d3

CAT: 0926-WZB82038-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-WZB82038-01Size:5 mg

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

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CAS Number

1246820-38-1

Smiles

CC1=C (C (=CC=C1) N) N

Molecular Formula

C7H10N2

Molecular Weight

125.19 g/mol

Controlled

Chemical Information

2,3-Diaminotoluene-d3

CAS Number	1246820-38-1
PubChem CID	71315901
IUPAC Name	3-(trideuteriomethyl)benzene-1,2-diamine
Molecular Formula	C7H10N2
Molecular Weight	125.19
XLogP	0.9
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	92

SMILES

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

InChI

InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3/i1D3

InChIKey

AXNUJYHFQHQZBE-FIBGUPNXSA-N

Chemical Structure

2D Structure

CAS: 1246820-38-1

CID: 71315901

Formula: C7H10N2

MW: 125.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	125.19
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	125.103228565
Monoisotopic Mass	125.103228565
Topological Polar Surface Area	52 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.9
Isotope Atom Count	3
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