Hexylcaine hydrochloride

CAT: 0926-AAA53276-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-AAA53276-01Size:100 mg

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CAS Number

532-76-3

Smiles

CC (CNC1CCCCC1) OC (=O) C2=CC=CC=C2.Cl

Molecular Formula

C16H23NO2.HCl

Molecular Weight

297.82 g/mol

Controlled

Chemical Information

Hexylcaine Hydrochloride

See also: Hexylcaine (has active moiety).

CAS Number	532-76-3
PubChem CID	102426
IUPAC Name	1-(cyclohexylamino)propan-2-yl benzoate;hydrochloride
Molecular Formula	C16H24ClNO2
Molecular Weight	297.82
Topological Polar Surface Area	38.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	20
Formal Charge	0
Complexity	268

SMILES

CC(CNC1CCCCC1)OC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H23NO2.ClH/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H

InChIKey

MTFCPNHRBINLRQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 532-76-3

CID: 102426

Formula: C16H24ClNO2

MW: 297.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.82
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	297.1495567
Monoisotopic Mass	297.1495567
Topological Polar Surface Area	38.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	268
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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