Aniline-N, N-d2

CAT: 0926-BAA12259-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-BAA12259-01Size:1 g

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CAS Number

1122-59-4

Smiles

C1=CC=C (C=C1) N

Molecular Formula

C6H7N

Molecular Weight

95.14 g/mol

Controlled

Chemical Information

(~2~H_2_)Aniline

See also: Aniline (annotation moved to); Phenyl, 4-amino- (annotation moved to); Phenylamidogen (annotation moved to).

CAS Number	1122-59-4
PubChem CID	13000438
IUPAC Name	N,N-dideuterioaniline
Molecular Formula	C6H7N
Molecular Weight	95.14
XLogP	0.9
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

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

InChI

InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2/i/hD2

InChIKey

PAYRUJLWNCNPSJ-ZSJDYOACSA-N

Chemical Structure

2D Structure

CAS: 1122-59-4

CID: 13000438

Formula: C6H7N

MW: 95.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	95.14
XLogP3	0.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	95.070402719
Monoisotopic Mass	95.070402719
Topological Polar Surface Area	26 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
Isotope Atom Count	2
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
LBA17860-01	N- (Cyclopropylmethyl) aniline
RHA66409-01	N- (Cyclobutylmethyl) aniline
PAA18184-01	N- (Diphenylethenylidene) aniline
FA157371-01	N- (3-Anilino-2-propenylidene) aniline
ARA77773-01	N- (1-Methylcyclopropyl) aniline
CRC59628-01	N- (2-Methylcyclopropyl) aniline
BFA54171-01	N- (Cyclohexylmethyl) aniline hydrochloride
AAA93506-01	N- (2-Chloroethyl) aniline
JJB18064-01	N- (3-Methylcyclohexyl) aniline
IBA23772-01	N- (2-Indanyl) aniline

Catalog	Name
D443521	N,N-Di(ethyl-1,1-d2)aniline
HY-W723695-01	Aniline-d2
070895-01	N, N-Diethyl Aniline
028196-01	N, N-Dimethyl Aniline
HY-W088178S	N, N-Dimethylbenzenesulfonamide-d2
TRC-E679032-100MG	N-(Ethyl-d2)-N-(propyl-d2)benzenemethanamine
153225-01	N-Methyl Aniline (Monomethyl Aniline)
457459-01	N- (Triphenylphosphoranylidene) aniline
GTR19247604-01	N, N-Bis (trifluoromethylsulfonyl) aniline
OR3397-01	N- (Chloroacetyl) aniline