Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Amidinomalonamide hydrochloride |
EINECS | 252-095-5 |
CAS No. | 34570-17-7 | Density | N/A |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
174-176 °C(lit.) |
Formula | C3H8ClN3O | Boiling Point | 315.4 °C at 760 mmHg |
Molecular Weight | 137.569 | Flash Point | 144.6 °C |
Transport Information | N/A | Appearance | White to yellowish crystalline powder |
Safety | 26-37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
3-Amino-3-iminopropanamide hydrochloride (1:1);3-Amino-1-imino-3-oxo-1-propanaminium chloride;Malonic acid diamide-imide; hydrochloride; |
Article Data | 6 |
The Amidinomalonamide hydrochloride, with the CAS registry number 34570-17-7, is also known as 3-Amino-1-imino-3-oxo-1-propanaminium chloride. It belongs to the product categories of Imines / Amidines; Nitrogen Compounds; Organic Building Blocks. Its EINECS number is 252-095-5. This chemical's molecular formula is C3H8ClN3O and molecular weight is 137.57. What's more, its systematic name is 3-Amino-3-iminopropanamide hydrochloride (1:1). This chemical should be sealed and stored in a cool and dry place. Moreover, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of Amidinomalonamide hydrochloride are: (1)ACD/LogP: -2.61; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -4.61; (4)ACD/LogD (pH 7.4): -4.57; (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): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.91 Å2; (13)Flash Point: 144.6 °C; (14)Enthalpy of Vaporization: 55.67 kJ/mol; (15)Boiling Point: 315.4 °C at 760 mmHg; (16)Vapour Pressure: 0.000437 mmHg at 25°C.
Uses of Amidinomalonamide hydrochloride: it can be used to produce 2-(6-chloro-4-oxo-3,4-dihydro-quinazolin-2-yl)-acetamide by heating. It will need reagent pyridine with the reaction time of 5 hours. The yield is about 71%.
When you are using this chemical, please be cautious about it as the following:
This chemical 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 protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.O=C(N)CC(=[N@H])N
(2)Std. InChI: InChI=1S/C3H7N3O.ClH/c4-2(5)1-3(6)7;/h1H2,(H3,4,5)(H2,6,7);1H
(3)Std. InChIKey: MPRLIYNSZYJODI-UHFFFAOYSA-N