Tetrabutylammonium Acetate

Catalog Number

ACM10534595

CAS

10534-59-5

Structure

Synonyms

1-Butanaminium, N,N,N-tributyl-, acetate (1:1)

IUPAC Name

tetrabutylazanium;acetate;

Molecular Weight

301.52

Molecular Formula

C18H39NO2

Canonical SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-];

InChI

1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1

InChI Key

MCZDHTKJGDCTAE-UHFFFAOYSA-M

Melting Point

98 °C

Purity

>90.0%(T)

Appearance

White to Yellow powder to lump

Storage

Store under inert gas

Complexity

142

Covalently-Bonded Unit Count

2

EC Number

234-101-8

Exact Mass

301.298g/mol

Hazard Statements

H315 : Causes skin irritation.H319 : Causes serious eye irritation.

Heavy Atom Count

21

Linear Formula

(CH3CH2CH2CH2)4N(OCOCH3)

MDL Number

MFCD00043208

Monoisotopic Mass

301.298g/mol

Precautionary Statements

P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.

REAXYS Number

3599376

Topological Polar Surface Area

40.1A^2

• Catalog Number: ACM10534595
• CAS: 10534-59-5
• Synonyms: 1-Butanaminium, N,N,N-tributyl-, acetate (1:1)
• IUPAC Name: tetrabutylazanium;acetate
• Molecular Weight: 301.52
• Molecular Formula: C18H39NO2
• Canonical SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC(=O)[O-]
• InChI: 1S/C16H36N.C2H4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2(3)4/h5-16H2,1-4H3;1H3,(H,3,4)/q+1;/p-1
• InChI Key: MCZDHTKJGDCTAE-UHFFFAOYSA-M
• Melting Point: 98 °C
• Purity: >90.0%(T)
• Appearance: White to Yellow powder to lump
• Storage: Store under inert gas
• Complexity: 142
• Covalently-Bonded Unit Count: 2
• EC Number: 234-101-8
• Exact Mass: 301.298g/mol
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• Heavy Atom Count: 21
• Linear Formula: (CH3CH2CH2CH2)4N(OCOCH3)
• MDL Number: MFCD00043208
• Monoisotopic Mass: 301.298g/mol
• Precautionary Statements: P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.
• REAXYS Number: 3599376
• Topological Polar Surface Area: 40.1A^2