6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide supplier

Name
PYRROLIDINYL DIAMINOPYRIMIDINE OXIDE
EINECS
CAS No. 55921-65-8
Density 1.607 g/cm³
Solubility
Melting Point 278 °C(dec)
Formula C₈H₁₃N₅O
Boiling Point 549.28 °C at 760 mmHg
Molecular Weight 195.224
Flash Point 285.995 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4-Diamino-6-pyrrolidinopyrimidine3-oxide;6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide;Pyrrolidinyl diaminopyrimidine oxide;
PSA 93.63000
LogP 1.50210

6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide Specification

The 2,4-Pyrimidinediamine,6-(1-pyrrolidinyl)-, 3-oxide, with the CAS registry number 55921-65-8, is also known as 2,4-Diamino-6-pyrrolidinopyrimidine 3-oxide. This chemical's molecular formula is C₈H₁₃N₅O and molecular weight is 195.22. What's more, its systematic name is 6-(Pyrrolidin-1-yl)pyrimidine-2,4-diamine 3-oxide.

Physical properties of 2,4-Pyrimidinediamine,6-(1-pyrrolidinyl)-, 3-oxide are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 93.63 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 49.96 cm³; (15)Molar Volume: 121.492 cm³; (16)Polarizability: 19.806×10^-24cm³; (17)Surface Tension: 78.501 dyne/cm; (18)Density: 1.607 g/cm³; (19)Flash Point: 285.995 °C; (20)Enthalpy of Vaporization: 82.907 kJ/mol; (21)Boiling Point: 549.28 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cc(nc(N)[n+]1[O-])N2CCCC2
(2)InChI: InChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5H,1-4,9H2,(H2,10,11)
(3)InChIKey: FMVJDYVWXJHAFZ-UHFFFAOYSA-N

Product Name

PYRROLIDINYL DIAMINOPYRIMIDINE OXIDE

6-(1-Pyrrolidinyl)-2,4-pyrimidinediamine 3-oxide Specification

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