1,3,5-Triaza-7-phosphaadamantane-7-oxide - CAS 53597-70-9

Catalog:	BB028286
Product Name:	1,3,5-Triaza-7-phosphaadamantane-7-oxide
CAS:	53597-70-9
Synonyms:	1,3,5-triaza-7lambda5-phosphatricyclo[3.3.1.13,7]decane 7-oxide

Technical Data

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Computed Properties

IUPAC Name:	1,3,5-triaza-7λ5-phosphatricyclo[3.3.1.13,7]decane 7-oxide
Description:	1,3,5-Triaza-7-phosphaadamantane-7-oxide (CAS# 53597-70-9 ) is a useful research chemical.
Molecular Weight:	173.15
Molecular Formula:	C6H12N3OP
Canonical SMILES:	C1N2CN3CN1CP(=O)(C2)C3
InChI:	InChI=1S/C6H12N3OP/c10-11-4-7-1-8(5-11)3-9(2-7)6-11/h1-6H2
InChI Key:	BPHLLGJNQPYNDP-UHFFFAOYSA-N
Boiling Point:	385.2 °C at 760 mmHg
Density:	1.47 g/cm³
LogP:	-0.14500

Publication Number	Title	Priority Date
US-4196149-A	Ternary salts of tris(aminomethyl)phosphines and their oxides	19781129
US-4225512-A	Ternary salts of tris(aminomethyl)phosphines and their oxides prepared by the hydrolysis of 1,3,5-triaza-7-phosphaadamantane and its oxide	19781129
US-4239701-A	Ternary salts of tris(aminomethyl)phosphines and their oxides	19781129
US-4056512-A	Composition comprising phenolic resins and curing amounts triaza phosphaadamantane compounds	19760227
GB-1536297-A	Aza-adamantane stabilizers for synthetic polymer compositions	19751009

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	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
Signal Word:	Warning

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.07179901
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	173.07179901
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6