3-Brompropylaminhydrobromid

3-Bromopropylamine hydrobromide

HCID 78701CAS 5003-71-4

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Grundinformationen

Standard-SMILES: Br.NCCCBr
InChIKey: PQIYSSSTRHVOBW-UHFFFAOYSA-N
Summenformel: C3H9Br2N
Durchschnittliche Molmasse: 218,92 g/mol
Monoisotopische Masse: 216,91017349

Namen und Bezeichner

Bevorzugter Name: 3-Bromopropylamine hydrobromide
IUPAC: 3-bromopropan-1-amine;hydrobromide
Lokaler Name: 3-Brompropylaminhydrobromid
Englischer Name: 3-Bromopropylamine hydrobromide
Summenformel: C3H9Br2N
Molmasse: 218.92

Namen und Synonyme

3-Bromopropylamine hydrobromide5003-71-41-Propanamine, 3-bromo-, hydrobromide1-Propanamine, 3-bromo-, hydrobromide (1:1)NSC-78813DTXSID8063674R37T6824WARefChem:499383DTXCID3040774225-675-03-bromopropan-1-amine hydrobromide3-Aminopropyl bromide hydrobromide

Weitere Namen anzeigen

amine hydrobromide3-Bromopropylamine Hydrobromate3-BromopropyLPemafibrate SM1-Imp53-BROMOPROPYLAMINE HBR3-Brompropylaminhydrobromid3-bromo-propylaminhydrobromide3-bromopropanaminehydrobromide

3-Bromopropanamine hydrobromideMFCD000129123-Bromopropylammonium bromide1-Amino-3-bromopropane hydrobromide3-Bromo-1-propanamine, hydrobromideEINECS 225-675-0NSC 788133-bromopropan-1-amine;hydrobromide

Datenbank-Bezeichner

CAS: 5003-71-4
PubChem CID: 78701
DTXSID: DTXSID8063674
UNII: R37T6824WA
EC Number: 225-675-0

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 26 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 2
Schwere Atome: 6
Formalladung: 0
Komplexität: 16,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesNitrogen Compounds -> Halogenated Aliphatic Amines

Physical DescriptionHygroscopic crystalline powder; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 171 · 171-172 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Powder or Chunks
Farbe: White to off-white
Wasserlöslichkeit: Soluble in water (50 mg/ml).
BRN: 3906418 · 3906418
InChI: InChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H
InChIKey: PQIYSSSTRHVOBW-UHFFFAOYSA-N
SMILES: C(CBr)CN.Br
CAS Datenbank: 5003 · 5003-71-4(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Propanamine, 3-bromo-, hydrobromide (5003-71-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information3-Bromopropylammonium bromide: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 109 mg/kg; [RTECS] A skin and strong eye irritant; [Alfa Aesar MSDS] See 2-Chloro-N,N-dimethyl-1-propanamine hydrochloride and 2-Bromoethylamine.

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29211980
RTECS-Nr.: UH9925000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information1-Propanamine, 3-bromo-, hydrobromide (1:1): ACTIVE

Anwendungen

Verwenden3-Bromopropylamine hydrobromide is used as pharmaceutical raw materials and intermediates. Homotaurine is synthesized from 3-bromopropylamine hydrobromide.