N-Butylamine oleate

CAT: 0286-B27310-01Size: 100 gDry Ice: NoHazardous: No

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CAT#:0286-B27310-01Size:100 g

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CAS Number

26094-13-3

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00050742

Hazard Statement

H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.

DOT Name

Not D.O.T.-Regulated

Precautions

P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Butylamine oleate

CAS Number	26094-13-3
PubChem CID	53249459
IUPAC Name	butylazanium;(Z)-octadec-9-enoate
Molecular Formula	C22H45NO2
Molecular Weight	355.6
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	25
Formal Charge	0
Complexity	241

SMILES

CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCC[NH3+]

InChI

InChI=1S/C18H34O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4-5/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H2,1H3/b10-9-;

InChIKey

VSRHJGWIUVFJCJ-KVVVOXFISA-N

Chemical Structure

2D Structure

CAS: 26094-13-3

CID: 53249459

Formula: C22H45NO2

MW: 355.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	355.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Exact Mass	355.345029678
Monoisotopic Mass	355.345029678
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	241
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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N-Butylamine oleate

Chemical Information

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