CAS 13214-66-9 Benzenebutanamine (HCID 83242)

Overview

4-phenylbutylamine is a phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. It is a member of benzenes, a primary amino compound and a phenylalkylamine.

Names & identifiers

Preferred name: Benzenebutanamine
IUPAC: 4-phenylbutan-1-amine
English name: 4-PHENYLBUTYLAMINE
Molecular formula: C10H15N
Molecular weight: 149.23

Names & synonyms

4-Phenylbutylamine13214-66-94-phenylbutan-1-amineBenzenebutanamineUG8K2LT79YCHEBI:44814DTXSID50157371RefChem:100367DTXCID3079862236-186-71-Amino-4-phenylbutane4-Phenyl-butylamine

Show more names

PhenylbutylamineAminophenylbutaneRARECHEM AL BW 0239PHENYLBUTYLAMINE, 4-4-Phenylbutylamine-1

4-PHENYL-1-BUTYLAMINEMFCD00008231Butylamine, 4-phenyl-4-Amino-1-phenylbutaneEINECS 236-186-7CHEMBL795124-Phenylbutylammonium chloride(4-phenylbutyl)amine

Database identifiers

CAS: 13214-66-9
PubChem CID: 83242
DTXSID: DTXSID50157371
ChEMBL: CHEMBL79512
ChEBI: CHEBI:44814
UNII: UG8K2LT79Y
EC Number: 236-186-7
Nikkaji: J3.768K

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 11
Formal charge: 0
Complexity: 84.9

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Amines, Aromatic

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials PropertiesOptical coefficient

LogP2.25

Vapor Pressure0.03 [mmHg]

Physical DescriptionLiquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point: 143 °C · 143°C (estimate)
Boiling point: 123 · 123-124 °C17 mm Hg(lit.)
Density: 0.944 g/mL · 0.944 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.519(lit.)
Flash point: 215 °F · 215 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, Methanol (Slightly)
form: Oil
pka: 10.66 · 10.66±0.10(Predicted)
color: Colourless
Sensitive: Air Sensitive
BRN: 2080045 · 2080045
InChI: 1S/C10H15N/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9,11H2
InChIKey: AGNFWIZBEATIAK-UHFFFAOYSA-N
SMILES: NCCCCc1ccccc1
CAS DataBase Reference: 13214 · 13214-66-9(CAS DataBase Reference)
FDA UNII: 8 K2LT79Y · UG8K2LT79Y
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Warning
Hazard statements: 314 · H314-H318-H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P309-P310
target organs: Respiratory system
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 2735 · 2735
WGK Germany: 3 · 3
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 2921301090 · 2921301090
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (11.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (11.1%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: 2735
hs_code: 2921301090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07,GHS05
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36
hazard_class: 8
Storage Class: 10 - Combustible liquids
packing_group: III
target organs: Respiratory system
Hazard statements: H314-H318-H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338-P309-P310

Chemistry & industry

Applications

Uses4-Phenylbutylamine was used in direct solvent-free amination of multi-walled carbon nanotubes. It was employed as internal standard during solid-phase micro-extraction by GC technique for detection of amphetamines in urine.

Upstream & downstream products

Upstream raw materials

N-(4-phenylbutyl)benzamide Pyrrolo[1,2-b][1,2]benzisothiazole, 1,2,3,9b-tetrahydro-, 5,5-dioxide 4-PHENYLBUTYRONITRILE

Downstream products

N-Ethyl-benzenebutanamine

Suppliers79 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

Additional notes

DefinitionChEBI: 4-phenylbutylamine is a phenylalkylamine that is benzene in which one of the hydrogens is substituted by a 4-aminobutyl group. It is a phenylalkylamine, a primary amino compound and a member of benzenes.