1-Azatricyclo[3.3.1.1,3,7]decan-4-one - CAS 42949-24-6

Name: 1-Azatricyclo[3.3.1.1,3,7]decan-4-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025285
Product Name:	1-Azatricyclo[3.3.1.1,3,7]decan-4-one
CAS:	42949-24-6
Synonyms:	1-azatricyclo[3.3.1.1^{3,7}]decan-4-one; 1-azatricyclo[3.3.1.1^{3,7}]decan-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-azatricyclo[3.3.1.13,7]decan-4-one
Description:	1-Azatricyclo[3.3.1.1,3,7]decan-4-one (CAS# 42949-24-6) is a useful research chemical.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	C1C2CC3CN(C2)CC1C3=O
InChI:	InChI=1S/C9H13NO/c11-9-7-1-6-2-8(9)5-10(3-6)4-7/h6-8H,1-5H2
InChI Key:	XGZKYPXTXBKQTM-UHFFFAOYSA-N
Boiling Point:	265 °C
Density:	1.19 g/cm³
LogP:	0.46500

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2015066371-A1	SPIRO-OXADIAZOLINE COMPOUNDS AS AGONISTS OF Î±-7-NICOTINIC ACETYLCHOLINE RECEPTORS	20131031
TW-201522340-A	Azaadamantane formate ester and process for preparing azaadamantane derivatives	20130312
US-2014275546-A1	Azaadamantane formate ester and process for preparing azaadamantane derivatives	20130312
US-2015166541-A1	Azaadamantane formate ester and process for preparing azaadamantane derivatives	20130312
US-8969562-B2	Azaadamantane formate ester and process for preparing azaadamantane derivatives	20130312

Complexity:	196
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	0
Topological Polar Surface Area:	20.3 Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3