1-Butanol, 4-(butylamino)-

HCID 20669

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Basic information

CAS: 4543-95-7
Standard SMILES: CCCCNCCCCO
InChIKey: OPUJAKVDYGQVHP-UHFFFAOYSA-N
Molecular formula: C8H19NO
Average molar mass: 145.24 g/mol
Monoisotopic mass: 145.14666423

Names & identifiers

Preferred name: 1-Butanol, 4-(butylamino)-
IUPAC: 4-(butylamino)butan-1-ol
English name: 4-(N-BUTYLAMINO)-1-BUTANOL
Molecular formula: C8H19NO
Molecular weight: 145.24

Names & synonyms

4-(Butylamino)butan-1-ol4543-95-74-(Butylamino)-1-butanolButyl(4-hydroxybutyl)amine1-BUTANOL, 4-(BUTYLAMINO)-BRN 1735171DTXSID601965144-04-00-01716 (Beilstein Handbook Reference)RefChem:430881DTXCID001190054-(N-BUTYLAMINO)-1-BUTANOLMFCD00059007

Show more names

4-(butylamino)-1-butano4-(butylamino)-1-butylol4-(Butylamino)-1-butanol >N-N-BUTYL-N-BUTAN-4-OL-AMINE4-(N-BUTYLAMINO)-1-BUTANOL 99+%

N-Butyl-4-hydroxybutylaminehydroxybutylbutylamineN-butylamino-4-butanol4-butylamino-1-butanolSCHEMBL95358SCHEMBL953594-(Butylamino);butan-1-olN-butyl-N-4-hydroxybutylamine

Database identifiers

CAS: 4543-95-7
PubChem CID: 20669
DTXSID: DTXSID60196514
EC Number: 109-509-3
Nikkaji: J2.216K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 10
Formal charge: 0
Complexity: 57.2

Physicochemical properties

Boiling point: 132 °C · 132 °C / 10mmHg
Density: 0.89 · 0.89
refractive index: 1.45 · 1.4500-1.4540
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: 15.14 · 15.14±0.10(Predicted)
color: Colorless to Almost colorless
CAS DataBase Reference: 4543 · 4543-95-7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
RTECS: 900000 · EL0900000
HS Code: 2922.19 · 2922.19.9690

Safety & regulation

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesEye Irrit. 2 (100%)

Safety data

rtecs: EL0900000
hs_code: 2922.19.9690
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501