CAS 102-97-6 Isopropylbenzylamine (HCID 66024)

Namen und Bezeichner

Bevorzugter Name: Isopropylbenzylamine
IUPAC: N-benzylpropan-2-amine
Lokaler Name: N-Isopropylbenzylamin
Englischer Name: N-Isopropylbenzylamine
Summenformel: C10H15N
Molmasse: 149.23

Namen und Synonyme

N-Isopropylbenzylamine102-97-6N-BenzylisopropylamineIsopropylbenzylamineN-Benzyl-N-isopropylamineBenzenemethanamine, N-(1-methylethyl)-BenzylisopropylamineBenzylamine, N-isopropyl-67SYC92FNSDTXSID8059265NSC-60295RefChem:792241

Weitere Namen anzeigen

N-Isopropylbenzylamine CrystalAURORA KA-7714n-(1-methylethyl)-benzenemethanaminN-(1-Methylethyl)-benzeneMethanaMine hydrochloride

DTXCID1032694203-067-6N-benzylpropan-2-amineMFCD00008863N-isopropyl-N-benzylamine(methylethyl)benzylamineN-(1-METHYLETHYL)BENZENEMETHANAMINEN-(1-Methylethyl)-benzenemethanamine

Datenbank-Bezeichner

CAS: 102-97-6
PubChem CID: 66024
DTXSID: DTXSID8059265
ChEMBL: CHEMBL3229275
UNII: 67SYC92FNS
EC Number: 203-067-6
Nikkaji: J149.906H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,3
Polarare Oberfläche (TPSA): 12 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 93

Experimentelle und physikochemische Eigenschaften

Ionization Efficiency · 6 Einträge

Positive

4.77

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Kovats Retention Index1149.7

Physikochemische Eigenschaften

Schmelzpunkt: 143 °C · 143°C (estimate)
Siedepunkt: 200 °C · 200 °C(lit.)
Dichte: 0.892 g/mL · 0.892 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.502(lit.)
Flammpunkt: 190 °F · 190 °F
storage temp.: 30 °C · Store below +30°C.
Löslichkeit: Chloroform (Slightly), Ethy Acetate (Slightly), Methanol (Slightly)
pka: 9.77 · 9.77±0.19(Predicted)
Aggregatzustand: Oil
Farbe: Colourless
BRN: 2638437 · 2638437
InChI: 1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
InChIKey: LYBKPDDZTNUNNM-UHFFFAOYSA-N
SMILES: CC(C)NCc1ccccc1
CAS Datenbank: 102 · 102-97-6(CAS DataBase Reference)
NIST chemische Informationen: Benzenemethanamine, N-(1-methylethyl)-(102-97-6)
EPA chemische Informationen: Benzenemethanamine, N-(1-methylethyl)- (102-97-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 2% (1 of 49) of reports.

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (95.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (93.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 49 reports by companies.；There are 6 notifications provided by 48 of 49 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Regulatory InformationStatus: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34344

Hazard Classes and CategoriesSkin Irrit. 2 (98%)；Eye Irrit. 2 (95.9%)；STOT SE 3 (93.9%)

Regulatorische Informationen

Regulatory InformationStatus: Active Update: 16-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/34344

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
ridadr: 2735
hs_code: 29214980
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
hazard_class: 8
packing_group: III
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationBenzenemethanamine, N-(1-methylethyl)-: ACTIVE

Anwendungen · 1 Eintrag

VerwendenN-Isopropylbenzylamine, can be used as an intermediate in the synthesis of pharmaceutical compounds,and as a precursor to the manufacture of some drugs. Due to it’s similarity in appearance and physical properties to methamphetamine, it has been recently come under consideration of DEA.

Darstellung

synthetischeN-benzylisopropylamine is synthesized by the reduction reaction of N-isopropylbenzamide or prepared from benzylamine and acetone by reductive amination reaction.