2,3-Diaminotoluene

CAT: 0024-sc-238265Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-238265Size:5 g

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CAS Number

2687-25-4

Chemical Information

2,3-Diaminotoluene

CAS Number	2687-25-4
PubChem CID	17593
IUPAC Name	3-methylbenzene-1,2-diamine
Molecular Formula	C7H10N2
Molecular Weight	122.17
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

CC1=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

InChIKey

AXNUJYHFQHQZBE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2687-25-4

CID: 17593

Formula: C7H10N2

MW: 122.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.17
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	122.084398327
Monoisotopic Mass	122.084398327
Topological Polar Surface Area	52 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	92.9
Isotope Atom Count	0
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
sc-238642	3,4-Diaminotoluene
sc-335533	2,5-Diaminotoluene
sc-500849	2,6-Diaminotoluene-d3
sc-487042	2,5-Diaminotoluene Dihydrochloride
sc-475851	α, α, α-Trifluoro-N4, N4-dipropyl-5-nitro-3,4-diaminotoluene
sc-260169	2,2,3,3,3-Pentafluoropropylamine
sc-321959A	2,2,3,3,3-Pentafluoropropyltrifluoromethanesulfonate
sc-321959	2,2,3,3,3-Pentafluoropropyltrifluoromethanesulfonate
sc-260169A	2,2,3,3,3-Pentafluoropropylamine
sc-260168	2,2,3,3,3-Pentafluoropropiophenone