1-Benzylaziridine

CAT: 1299-RG-B051464-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-B051464-01Size:10 mg

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CAS Number

1074-42-6

Synonyms

1-benzylaziridine

Molecular Formula

C9H11N

Molecular Weight

133.19

Target Alternative Name

Aziridine

Product Name Synonym

1-benzylaziridine

Chemical Information

1-Benzylaziridine

CAS Number	1074-42-6
PubChem CID	70628
IUPAC Name	1-benzylaziridine
Molecular Formula	C9H11N
Molecular Weight	133.19
XLogP	1.7
Topological Polar Surface Area	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	101

SMILES

C1CN1CC2=CC=CC=C2

InChI

InChI=1S/C9H11N/c1-2-4-9(5-3-1)8-10-6-7-10/h1-5H,6-8H2

InChIKey

CASDNPHWJOQUQX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1074-42-6

CID: 70628

Formula: C9H11N

MW: 133.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.19
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	133.089149355
Monoisotopic Mass	133.089149355
Topological Polar Surface Area	3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	101
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
RG-T180951-01	1,1,1-Trimethoxybutane
RG-P022538-01	1,1,1-Trimethoxyethane
RG-E140593-01	1,1-diethoxyethan-1-amine
RG-A260591-01	1-Bromo-1,1-Dichloroacetone
RG-E140598-01	1,1':2',1''-terphenyl
RG-P022540-01	1-Ethoxy-1,1-Dimethoxyethane
RG-A262056-01	1,1,1,3-Tetrachloroacetone
RG-P022541-01	1,1-Diethoxy-1-Methoxyethane
RG-E141273-01	1- (1,1-Dimethylethyl) -N, N-diethyl-1,1-dimethylsilanamine
RG-D090333-01	1,1-Dichloroethane

Catalog	Name
NAA90690-01	2-Benzylaziridine
465351-01	S-2-Benzylaziridine
TRC-B224790-1G	(S)-2-Benzylaziridine
OR300794-01	Ethyl 1-benzylaziridine-2-carboxylate
AR-A07937-01	(S) -2-Benzylaziridine
SVB92378-01	Benzyl (S) -2-benzylaziridine-1-carboxylate
1142923-78-1	(s) -2-benzylaziridine-carboxylate
AR-A07938-01	N-Nitroso (S) -2-benzylaziridine
OF59775-01	1,1,1,1,1-Kestoheptaose
N2864-5.1	1,1,1,1-Kestohexaose