CAS No.5146-68-9,N-hydroxymethylsuccinimide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5146-68-9
Name:	N-hydroxymethylsuccinimide
Article Data:	10

Formula:	C₅H₇NO₃
Molecular Weight:	129.115
Synonyms:	Succinimide,N-(hydroxymethyl)- (6CI,7CI,8CI);N-(Hydroxymethyl)succinimide;N-Methylolsuccinimide;NSC 27352;
Density:	1.413 g/cm³
Melting Point:	66 °C
Boiling Point:	362.2 °C at 760 mmHg
Flash Point:	172.8 °C
PSA:	57.61000
LogP:	-0.97690

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Specification

The CAS register number of 2,5-Pyrrolidinedione,1-(hydroxymethyl)- is 5146-68-9. It also can be called as N-(Hydroxymethyl)succinimide and the systematic name about this chemical is 1-(hydroxymethyl)pyrrolidine-2,5-dione. The molecular formula about this chemical is C₅H₇NO₃ and the molecular weight is 129.114.

Physical properties about 2,5-Pyrrolidinedione,1-(hydroxymethyl)- are: (1)ACD/LogP: -1.75; (2)ACD/LogD (pH 5.5): -1.75; (3)ACD/LogD (pH 7.4): -1.75; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.68; (7)ACD/KOC (pH 7.4): 2.68; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 46.61 Å²; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 28.5 cm³; (14)Molar Volume: 91.3 cm³; (15)Polarizability: 11.29x10^-24cm³; (16)Surface Tension: 60 dyne/cm; (17)Density: 1.413 g/cm³; (18)Flash Point: 172.8 °C; (19)Enthalpy of Vaporization: 70.38 kJ/mol; (20)Boiling Point: 362.2 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-06 mmHg at 25°C; (22)Heavy Atom Count: 9; (23)Complexity: 138; (24)Covalently-Bonded Unit Count: 1; (25)Feature 3D Acceptor Count: 3; (26)Feature 3D Donor Count: 1; (27)Feature 3D Ring Count: 1; (28)Effective Rotor Count: 1.6; (29)Conformer Sampling RMSD: 0.4; (30)CID Conformer Count: 2.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(=O)CC1)CO
(2)InChI: InChI=1/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h7H,1-3H2
(3)InChIKey: AZVYYSCOCHRFKW-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h7H,1-3H2
(5)Std. InChIKey: AZVYYSCOCHRFKW-UHFFFAOYSA-N

The toxicity data are as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	intraperitoneal	700mg/kg (700mg/kg)		Archiv der Pharmazie Vol. 305, Pg. 427, 1972.