Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1) supplier

Name
DIETHYL(AMINOMETHYL)PHOSPHONATE OXALATE SALT
EINECS
CAS No. 117196-73-3
Density
Solubility
Melting Point 118-126 °C
Formula C₇H₁₆NO₇P
Boiling Point 228.2 °C at 760 mmHg
Molecular Weight 257.18
Flash Point 91.8 °C
Transport Information
Appearance white powder
Safety 37/39-26
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Diethyl (aminomethyl)phosphonate ethanedioate;Diethyl (aminomethyl)phosphonate oxalate salt;
PSA 145.96000
LogP 1.02460

Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1) Specification

The Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1), with the CAS registry number 117196-73-3, is also known as Diethyl (aminomethyl)phosphonate oxalate salt. This chemical's molecular formula is C₇H₁₆NO₇P and molecular weight is 257.18. What's more, its systematic name is diethyl (aminomethyl)phosphonate ethanedioate. It should be sealed and stored in a cool and dry place.

Physical properties of Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1) are: (1)ACD/LogP: -0.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.13; (4)ACD/LogD (pH 7.4): -0.66; (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): 8.39; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 48.58 Å²; (13)Flash Point: 91.8 °C; (14)Enthalpy of Vaporization: 46.48 kJ/mol; (15)Boiling Point: 228.2 °C at 760 mmHg; (16)Vapour Pressure: 0.0743 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)CN.O=C(O)C(=O)O
(2)InChI: InChI=1S/C5H14NO3P.C2H2O4/c1-3-8-10(7,5-6)9-4-2;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6)
(3)InChIKey: OVHZWLGNOJBTDI-UHFFFAOYSA-N

Product Name

DIETHYL(AMINOMETHYL)PHOSPHONATE OXALATE SALT

Phosphonic acid, P-(aminomethyl)-, diethyl ester, ethanedioate (1:1) Specification

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