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51552-16-0

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Basic Information
CAS No.: 51552-16-0
Name: (Dimethylamino)acetyl chloride
Article Data: 12
Molecular Structure:
Molecular Structure of 51552-16-0 ((Dimethylamino)acetyl chloride)
Formula: C4H8ClNO
Molecular Weight: 121.567
Synonyms: (Dimethylamino)acetyl chloride
Density: 1.101 g/cm3
Melting Point: 110-113 °C
Boiling Point: 114.8 °C at 760 mmHg
Flash Point: 23.2 °C
PSA: 20.31000
LogP: 0.31340
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Specification

With the CAS registry number 51552-16-0, the systematic name of (Dimethylamino)acetyl chloride is N,N-dimethylglycyl chloride. In addition, its molecular formula is C4H8ClNO and its molecular weight is 121.57. 

The other characteristics of (Dimethylamino)acetyl chloride can be summarized as: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): 0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.03; (7)ACD/KOC (pH 5.5): 2.04; (8)ACD/KOC (pH 7.4): 33.28; (9)H bond acceptors: 2; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 29.18 cm3; (15)Molar Volume: 110.3 cm3; (16)Polarizability: 11.56×10-24cm3; (17)Surface Tension: 31 dyne/cm; (18)Density: 1.101 g/cm3; (19)Flash Point: 23.2 °C; (20)Melting Point: 110-113 °C; (21)Enthalpy of Vaporization: 35.32 kJ/mol; (22)Boiling Point: 114.8 °C at 760 mmHg; (23)Vapour Pressure: 19.6 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:ClC(=O)CN(C)C
(2)InChI:InChI=1/C4H8ClNO/c1-6(2)3-4(5)7/h3H2,1-2H3
(3)InChIKey:VTYRPALGSNDUQQ-UHFFFAOYAG
(4)Std. InChI:InChI=1S/C4H8ClNO/c1-6(2)3-4(5)7/h3H2,1-2H3
(5)Std. InChIKey:VTYRPALGSNDUQQ-UHFFFAOYSA-N