2-Phenylpropionitrile-d5

CAT: 0572-TRC-P336202-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-P336202-100MGSize:100 mg

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CAS Number

1330238-27-1

Synonyms

alpha-Methyl-benzeneacetonitrile-d5; Hydratroponitrile-d5; (+/-)-alpha-Methylbenzeneacetonitrile-d5; NSC 11264-d5; NSC 37485-d5; dl-2-Phenylpropionitrile-d5; dl-alpha-Phenylethyl Isocyanide-d5; alpha-Cyanoethylbenzene-d5; alpha-Methylbenzeneacetonitrile-d5; alpha-Methylbenzyl Cyanide-d5; alpha-Methylphenylacetonitrile-d5; alpha-Phenylethyl Cyanide-d5;

Hazard Statement

No Data Available

Smiles

[2H]c1c([2H])c([2H])c(C(C)C#N)c([2H])c1[2H]

Molecular Formula

C9H4D5N

Molecular Weight

136.21

Shipping Conditions

Room Temperature

Chemical Information

2-Phenylpropionitrile-d5

CAS Number	1330238-27-1
PubChem CID	71751637
IUPAC Name	2-(2,3,4,5,6-pentadeuteriophenyl)propanenitrile
Molecular Formula	C9H9N
Molecular Weight	136.20
XLogP	2.1
Topological Polar Surface Area	23.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	136

SMILES

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

InChI

InChI=1S/C9H9N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1H3/i2D,3D,4D,5D,6D

InChIKey

NVAOLENBKNECGF-VIQYUKPQSA-N

Chemical Structure

2D Structure

CAS: 1330238-27-1

CID: 71751637

Formula: C9H9N

MW: 136.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	136.20
XLogP3	2.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	136.104883021
Monoisotopic Mass	136.104883021
Topological Polar Surface Area	23.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	136
Isotope Atom Count	5
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TRC-P335872-10MG	2-Phenylphenol-d5

Alternative Products

Catalog	Name
019584	2-Phenylpropionitrile-d5
MBS6063659-01	2-Phenylpropionitrile
OR919888-01	3-Phenylpropionitrile
OR346453-01	2-Chloro-3-phenylpropionitrile
sc-293581	Boc- (S) -2-amino-3-phenylpropionitrile
OR2846-01	3-Hydroxy-3-phenylpropionitrile
V1025-01	Valnoctamide-d5 (2-Ethyl-d5-3-methylpentan-amide, 2-Ethyl-d5-3-methylvaleramide, Valmethamide-d5, McN-X-181-d5, Axiquel-d5, Nirvanil-d5)
CS-O-42188	2-Hexylcinnamaldehyde-d5
FM171237-01	2-MCPD-d5
HY-W745504	2-Phenylphenol-d5

2-Phenylpropionitrile-d5

Chemical Information

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