TCO-amine hydrochloride

CAT: 0926-FT161247-01Size: 0.025 gDry Ice: NoHazardous: No

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CAT#:0926-FT161247-01Size:0.025 g

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CAS Number

1800507-94-1

MDL Number

MFCD32665932

Smiles

C1CC=CCCC (C1) OC (=O) NCCCN.Cl

Molecular Formula

C12H22N2O2•HCl

Molecular Weight

262.78 g/mol

Controlled

Chemical Information

Cyclooct-4-en-1-yl (3-aminopropyl)carbamate hydrochloride

CAS Number	1800507-94-1
PubChem CID	138376170
IUPAC Name	[(4Z)-cyclooct-4-en-1-yl] N-(3-aminopropyl)carbamate;hydrochloride
Molecular Formula	C12H23ClN2O2
Molecular Weight	262.77
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	17
Formal Charge	0
Complexity	229

SMILES

C1C/C=C\CCC(C1)OC(=O)NCCCN.Cl

InChI

InChI=1S/C12H22N2O2.ClH/c13-9-6-10-14-12(15)16-11-7-4-2-1-3-5-8-11;/h1-2,11H,3-10,13H2,(H,14,15);1H/b2-1-;

InChIKey

GIYQQURLGCGUKK-ODZAUARKSA-N

Chemical Structure

2D Structure

CAS: 1800507-94-1

CID: 138376170

Formula: C12H23ClN2O2

MW: 262.77

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	262.77
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	262.1448057
Monoisotopic Mass	262.1448057
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	229
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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ABA47576	Thiophen-3-amine hydrochloride
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