4-(Dimethylamino)butyric acid hydrochloride

HCID 12691640CAS 69954-66-1

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Basic information

Standard SMILES: CN(C)CCCC(=O)O.Cl
InChIKey: RDTALXUBMCLWBB-UHFFFAOYSA-N
Molecular formula: C6H14ClNO2
Average molar mass: 167.63 g/mol
Monoisotopic mass: 167.07130637

Names & identifiers

Preferred name: 4-(Dimethylamino)butyric acid hydrochloride
IUPAC: 4-(dimethylamino)butanoic acid;hydrochloride
English name: 4-Dimethylaminobutyric acid hydrochloride
Molecular formula: C6H14ClNO2
Molecular weight: 167.63

Names & synonyms

4-(Dimethylamino)butyric acid hydrochlorideRefChem:515978629-379-669954-66-14-(dimethylamino)butanoic acid hydrochloride4-Dimethylaminobutyric Acid HydrochlorideMFCD000126134-(dimethylamino)butanoic acid;hydrochloride4-(Dimethylamino)-butanoic acid HClNSC165617NSC-1656174-dimethylamino-butyric acid hydrochloride

Show more names

4-(dimethylamino)butanoic acidSKL678Neratinib Impurity 51LABOTEST-BB LT011483294-DimethylaminobutyricacidHCl4-Dimethylaminobbbutyric Acid Hydrochloride4-(Dimethylamino)butyric acid hydrochloride 98%

4-(dimethylamino) butyric acid hydrochloride4-dimethylamino-butyric acid hydrochloride salt4-Dimethylaminobutyric acid HCl4-(DimethylamButanoic acid, 4-(dimethylamino)-, hydrochlorideFT-0641262SCHEMBL246147orb3021438

Database identifiers

CAS: 69954-66-1
PubChem CID: 12691640
DTXSID: DTXSID50507054
EC Number: 629-379-6

Properties

Computed structural properties

Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 10
Formal charge: 0
Complexity: 91.1

Physicochemical properties

Melting point: 153 · 153-155 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Appearance: Off-white to pink Solid
Sensitive: Hygroscopic
Major Application: peptide synthesis
InChI: InChI=1S/C6H13NO2.ClH/c1-7(2)5-3-4-6(8)9;/h3-5H2,1-2H3,(H,8,9);1H
InChIKey: RDTALXUBMCLWBB-UHFFFAOYSA-N
SMILES: C(=O)(O)CCCN(C)C.Cl
CAS DataBase Reference: 69954 · 69954-66-1(CAS DataBase Reference)
UNSPSC Code: 12352106 · 12352106
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39
WGK Germany: 3 · 3
HazardClass: IRRITANT
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.