Epichlorohydrin Impurity 8

CAT: 1596-AR-E10026-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-E10026-02Size:25 Units

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CAS Number

97988-48-2

Molecular Formula

C6H13NO

Molecular Weight

115.18

API Name

Epichlorohydrin

Chemical Information

Oxiranemethanamine, N-(1-methylethyl)-, (2R)-

CAS Number	97988-48-2
PubChem CID	11636832
IUPAC Name	N-[[(2R)-oxiran-2-yl]methyl]propan-2-amine
Molecular Formula	C6H13NO
Molecular Weight	115.17
XLogP	0.3
Topological Polar Surface Area	24.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

CC(C)NC[C@@H]1CO1

InChI

InChI=1S/C6H13NO/c1-5(2)7-3-6-4-8-6/h5-7H,3-4H2,1-2H3/t6-/m1/s1

InChIKey

AQFROTXMDPNEJE-ZCFIWIBFSA-N

Chemical Structure

2D Structure

CAS: 97988-48-2

CID: 11636832

Formula: C6H13NO

MW: 115.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	115.17
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	115.099714038
Monoisotopic Mass	115.099714038
Topological Polar Surface Area	24.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.9
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

Catalog	Name
AR-E10024-01	Epichlorohydrin Impurity 7
AR-E10021-01	Epichlorohydrin Impurity 3
AR-E10023-01	Epichlorohydrin Impurity 6
AR-E10022-01	Epichlorohydrin Impurity 5
AR-E10020-01	Epichlorohydrin Impurity 1
AR-E10025-01	Epichlorohydrin Impurity 4-d5
AR-E01479-01	Epichlorohydrin
AR-E08858-01	(R) -Epichlorohydrin
AR-E10027-01	Epichlorohydrin-d5
AR-N01604-01	Nintedanib Impurity 8 (Intedanib Impurity 8)