Tricyclo[3.3.1.13,7]dec-1-ylmethylamin

1-ADMA · Mrz-2/16 · AKOS B014406 · AKOS BC-0196 · adamantylmethylamine · 1-ADAMANTYLMETHYLAMINE · 1-Adamantylmethanamine · 1-AMINOMETHYLADAMANTANE

Identifikatoren & physikalische Daten

CAS No.	17768-41-1
Summenformel	C11H19N
Durchschnittliche Molmasse	165,27 g/mol
Monoisotopische Masse	165,15174961 g/mol
SMILES	NCC12CC3CC(CC(C3)C1)C2
InChIKey	XSOHXMFFSKTSIT-UHFFFAOYSA-N
PubChem CID	86625
ChEMBL	CHEMBL336585
EC No.	241-752-1
DTXSID	DTXSID90170367
Lokaler Name	Tricyclo[3.3.1.13,7]dec-1-ylmethylamin

XLogP	2,2
Polarare Oberfläche (TPSA)	26
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	156
Siedepunkt	83-85 °C/0.3 mmHg (lit.)
Dichte	0.933 g/mL at 25 °C (lit.)
Brechungsindex	n20/D 1.5137(lit.)
Flammpunkt	198 °F
Lagerbedingungen	2-8°C(protect from light)
Aggregatzustand	Liquid
pKa (Säurekonstante)	10.71±0.29(Predicted)
Farbe	Colorless to pale yellow
InChI	1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2/t8-,9+,10-,11-
InChIKey	XSOHXMFFSKTSIT-BIBSGERRSA-N
SMILES	NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
CAS Datenbank	17768-41-1(CAS DataBase Reference)
NIST chemische Informationen	1-Adamantanemethylamine(17768-41-1)

GHS-Einstufung	DangerH314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard Classes and Categories	Skin Corr. 1B (97.6%)
Wassergefährdungsklasse (WGK)	3
UN-Transportnummer	UN 2735
Zollcode	29213000
R-Sätze (R)	34
Gefahrensymbole	Xi,C
Sicherheitshinweise (S)	24/25-45-36/37/39-27-26
Gefahrenklasse	8Eye Dam. 1Skin Corr. 1B
Lagerklasse	8A - Combustible corrosive hazardous materials