(S) -2-Benzylaziridine

CAT: 1596-AR-A07937-01Size: 10 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-A07937-01Size:10 Units

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CAS Number

73058-30-7

Molecular Formula

C9H11N

Molecular Weight

133.19

API Name

Aziridine

Chemical Information

(2S)-2-benzylaziridine

CAS Number	73058-30-7
PubChem CID	11062438
IUPAC Name	(2S)-2-benzylaziridine
Molecular Formula	C9H11N
Molecular Weight	133.19
XLogP	1.6
Topological Polar Surface Area	21.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	10
Formal Charge	0
Complexity	105

SMILES

C1[C@@H](N1)CC2=CC=CC=C2

InChI

InChI=1S/C9H11N/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9-10H,6-7H2/t9-/m0/s1

InChIKey

LKQAJXTWYDNYHK-VIFPVBQESA-N

Chemical Structure

2D Structure

CAS: 73058-30-7

CID: 11062438

Formula: C9H11N

MW: 133.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.19
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	133.089149355
Monoisotopic Mass	133.089149355
Topological Polar Surface Area	21.9 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	105
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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