CAS 26893-39-0 1,3-Diazinan-2-imine hydrochloride (HCID 22557527)

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Basic information

CAS: 26893-39-0
Standard SMILES: Cl.NC1=NCCCN1
InChIKey: GRHGTRIHFULSAY-UHFFFAOYSA-N
Molecular formula: C4H10ClN3
Average molar mass: 135.59 g/mol
Monoisotopic mass: 135.056325

Names & identifiers

Preferred name: 1,3-Diazinan-2-imine hydrochloride
IUPAC: 1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride
English name: 2-AMino-1,4,5,6-tetrahydropyriMidine Hydrochloride
Molecular formula: C4H10ClN3
Molecular weight: 136

Names & synonyms

1,3-diazinan-2-imine hydrochlorideRefChem:414247810-340-926893-39-02-Amino-1,4,5,6-tetrahydropyrimidine Hydrochloride1,4,5,6-Tetrahydropyrimidin-2-amine hydrochlorideMFCD18379178tetrahydropyrimidin-2(1H)-imine hydrochloride1,4,5,6-tetrahydropyrimidin-2-amine;hydrochloride2-AMINO-1,4,5,6-TETRAHYDROPYRIMIDINE HCL1,4,5,6-Tetrahydro-2-pyrimidinamine Monohydrochloride;1,4,5,6-Tetrahydro-2-pyrimidinamine Monohydrochloride

Show more names

SCHEMBL3368438SCHEMBL4481825DTXSID60626427GRHGTRIHFULSAY-UHFFFAOYSA-NAC1271AKOS022185336AKOS026676838SB57416

Database identifiers

CAS: 26893-39-0
PubChem CID: 22557527
DTXSID: DTXSID60626427
EC Number: 810-340-9

Properties

Computed structural properties

Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 86.9

Physicochemical properties

Melting point: 152 · 152-155°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Water
form: Solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (90%): 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 20 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (90%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses2-AMino-1,4,5,6-tetrahydropyriMidine Hydrochloride can be used for preparation of N-Aryl-N'[(1,4,5,6-tetrahydropyrimidin-2-yl)- or (4,5,6,7-tetrahydro-1-H-1,3-diazepin-2-yl]ureas for intestinal disorders and as antihypertensives.