4-(Dimethylamino)butyric acid

HCID 239820

Notes Reactions

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Basic information

CAS: 693-11-8
Standard SMILES: CN(C)CCCC(=O)O
InChIKey: OXOWTLDONRGYOT-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol
Monoisotopic mass: 131.09462866

Overview

used in electrochemiluminescence detection; do not confuse with DMBA

Names & identifiers

Preferred name: 4-(Dimethylamino)butyric acid
IUPAC: 4-(dimethylamino)butanoic acid
English name: 4-(Dimethylamino)butanoic acid
Molecular formula: C6H13NO2
Molecular weight: 131.17

Names & synonyms

4-(dimethylamino)butanoic acid693-11-84-(dimethylamino)butyric acidn,n-dimethyl-4-aminobutyric acidButyric acid, 4-(dimethylamino)-DMBA amino acidB9QYA11V0FNSC-45489DTXSID00286403n,n-dimethyl-gamma-aminobutyric acidRefChem:97442DTXCID20237553

Show more names

4-(dimethylazaniumyl)butanoateN,N-Dimethyl-g-aminobutyric acid

4-Dimethylamino-butyric acidMFCD000446284-dimethylaminobutyric acid4-(N,N-Dimethylamino)butanoic acidAKOS004123540Butanoic acid, 4-(dimethylamino)-ButanoicNSC45489

Database identifiers

CAS: 693-11-8
PubChem CID: 239820
DTXSID: DTXSID00286403
UNII: B9QYA11V0F
EC Number: 809-546-1
Nikkaji: J79.789H

Properties

Computed structural properties

XLogP: -2.2
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 9
Formal charge: 0
Complexity: 91.1

Physicochemical properties

Melting point: 102 · 102-104 °C
Boiling point: 145 · 145-150 °C
Density: 1.013 · 1.013±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 4.36 · 4.36±0.10(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C6H13NO2/c1-7(2)5-3-4-6(8)9/h3-5H2,1-2H3,(H,8,9)
InChIKey: OXOWTLDONRGYOT-UHFFFAOYSA-N
SMILES: C(O)(=O)CCCN(C)C
FDA UNII: 9 QYA11V0F · B9QYA11V0F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses4-(Dimethylamino)butanoic Acid is used in preparation of lipid nanoparticles for nucleic acid delivery to immune cells.

Upstream & downstream products

Downstream products

DLin-MC3-DMA

Suppliers38 total

上海爱孜康医药研究有限公司18721109360 · [email protected]

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Jinan Liheng Biotechnology Co., Ltd.15865262812 · [email protected]

北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

23 records

New reaction record

HRID 178362As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 182899As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 184874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 184965As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197003As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 202748As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 803784As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 933466As reactantValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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