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HCID 19476Erstellt: 31. Oktober 2026

1-(Methylamino)adamantane

Mrz-2/188 · N-Methyladamantine · N-Methyladamantanamine · N-Methyl AdaMantylaMine · N-Methyl-1-adamantyamine · N-Methyl-1-adamantanamine · N-METHYL-1-ADAMANTYLAMINE · N-Methyl-adamantane-1-amine

https://huagongshe.com/de/chemical/19476

Molekülstruktur von 1-(Methylamino)adamantane

Identifikatoren & physikalische Daten

CAS No.	3717-38-2
Summenformel	C11H19N
Durchschnittliche Molmasse	165,27 g/mol
Monoisotopische Masse	165,15174961 g/mol
SMILES	CNC12CC3CC(CC(C3)C1)C2
InChIKey	NZOLSRPWNVZXTK-UHFFFAOYSA-N
PubChem CID	19476
ChEMBL	CHEMBL443286
EC No.	622-261-5
DTXSID	DTXSID80190650

Chemische & physikalische Eigenschaften

XLogP	2,4
Polarare Oberfläche (TPSA)	12
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	1
Frei drehbare Bindungen	1
Schwere Atome	12
Formalladung	0
Komplexität	156
Siedepunkt	226.8±8.0℃ (760 Torr)
Dichte	1.00±0.1 g/cm3 (20 ºC 760 Torr)
Flammpunkt	84.0±15.8℃
pKa (Säurekonstante)	11.32±0.20(Predicted)
Aggregatzustand	lumps
BRN	2348926
InChI	1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3/t8-,9+,10-,11-
InChIKey	NZOLSRPWNVZXTK-BIBSGERRSA-N
SMILES	CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Wassergefährdungsklasse (WGK)	3
RTECS-Nr.	AU4375400
R-Sätze (R)	22-36/37/38
Toxizität	mouse,LD50,intraperitoneal,175mg/kg (175mg/kg),Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 14(3), Pg. 59, 1980.
Gefahrensymbole	Xn
Sicherheitshinweise (S)	26
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

CAS No.

3717-38-2

Summenformel

C11H19N

Durchschnittliche Molmasse

165,27 g/mol

Monoisotopische Masse

165,15174961 g/mol

SMILES

CNC12CC3CC(CC(C3)C1)C2

InChIKey

NZOLSRPWNVZXTK-UHFFFAOYSA-N

PubChem CID

19476

ChEMBL

CHEMBL443286

EC No.

622-261-5

DTXSID

DTXSID80190650

Chemische & physikalische Eigenschaften

XLogP

2,4

Polarare Oberfläche (TPSA)

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

156

Siedepunkt

226.8±8.0℃ (760 Torr)

Dichte

1.00±0.1 g/cm3 (20 ºC 760 Torr)

Flammpunkt

84.0±15.8℃

pKa (Säurekonstante)

11.32±0.20(Predicted)

Aggregatzustand

lumps

BRN

2348926

InChI

1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3/t8-,9+,10-,11-

InChIKey

NZOLSRPWNVZXTK-BIBSGERRSA-N

SMILES

CNC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

Sicherheit & Vorschriften

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)

Wassergefährdungsklasse (WGK)

RTECS-Nr.

AU4375400

R-Sätze (R)

22-36/37/38

Toxizität

mouse,LD50,intraperitoneal,175mg/kg (175mg/kg),Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 14(3), Pg. 59, 1980.

Gefahrensymbole

Sicherheitshinweise (S)

Lagerklasse

11 - Combustible Solids

Gefahrenklasse

Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3