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CAS No.: | 10300-69-3 |
---|---|
Name: | CHLOROACETAMIDINE HYDROCHLORIDE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C2H5ClN2.HCl |
Molecular Weight: | 128.989 |
Synonyms: | Acetamidine,2-chloro-, hydrochloride (6CI,7CI);Acetamidine, 2-chloro-, monohydrochloride(8CI);2-Chloroacetamidine hydrochloride;2-Chloroacetamidinemonohydrochloride;Chloroacetamidine hydrochloride;a-Chloroacetamidine hydrochloride; |
EINECS: | 233-675-7 |
Melting Point: | 98-103 °C |
Boiling Point: | 146.4 °C at 760 mmHg |
Flash Point: | 42.4 °C |
Solubility: | Insoluble in water. |
Appearance: | solid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
Transport Information: | UN 3261 |
PSA: | 49.87000 |
LogP: | 1.76320 |
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The IUPAC name of Ethanimidamide,2-chloro-, monohydrochloride (9CI) is 2-chloroethanimidamide hydrochloride. With the CAS registry number 10300-69-3, it is also named as Chloroacetamidine hydrochloride. The product's categories are Imines / Amidines; Nitrogen Compounds; Organic Building Blocks. Besides, this chemical is solid, which should be stored in sealed, cool and dry place. In addition, its molecular formula is C2H5ClN2.HCl and its molecular weight is 129.00.
The other characteristics of Ethanimidamide,2-chloro-, monohydrochloride (9CI) can be summarized as: (1)EINECS: 233-675-7; (2)ACD/LogP: -1.07; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): -3.06; (5)ACD/LogD (pH 7.4): -2.94; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 1; (9)ACD/KOC (pH 7.4): 1; (10)#H bond acceptors: 2; (11)#H bond donors: 3; (12)#Freely Rotating Bonds: 1; (13)Polar Surface Area: 6.25 Å2; (14)Melting Point: 98-103 °C; (15)Flash Point: 42.4 °C; (16)Enthalpy of Vaporization: 38.35 kJ/mol; (17)Boiling Point: 146.4 °C at 760 mmHg; (18)Vapour Pressure: 4.64 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. You should wear suitable protective clothing. Moreover, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
People can use the following data to convert to the molecule structure.
(1)SMILES: [Cl-].ClCC(=[NH2+])\N
(2)InChI: InChI=1/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
(3)InChIKey: GUPOZVHRTJYZCX-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C2H5ClN2.ClH/c3-1-2(4)5;/h1H2,(H3,4,5);1H
(5)Std. InChIKey: GUPOZVHRTJYZCX-UHFFFAOYSA-N