CAS No.33986-15-1,Methylaminoacetonitrile sulfate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33986-15-1
Name:	Methylaminoacetonitrile sulfate

Formula:	C₃H₈N₂O₄S
Molecular Weight:	238.268
Synonyms:	Methylaminoacetonitrile sulfate;USAF A-8104;
Melting Point:	159.0 to 163.0 °C
Boiling Point:	150.2 °C at 760 mmHg
Flash Point:	44.6 °C
Solubility:	almost transparency
PSA:	118.80000
LogP:	0.54828

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Specification

The Methylaminoacetonitrile sulfate, with the CAS registry number 33986-15-1, is also known as Methylamino-acetonitrilsulfate and Sarcosine nitrile sulfate. This chemical's molecular formula is C₃H₈N₂O₄S and molecular weight is 168.17. What's more, its systematic name is Cyano-N-methylmethanaminium hydrogen sulfate.

Physical properties about the Methylaminoacetonitrile sulfate are: (1)ACD/LogP: -0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.13; (8)ACD/KOC (pH 7.4): 7.19; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å²; (13)Flash Point: 44.6 °C; (14)Enthalpy of Vaporization: 38.7 kJ/mol; (15)Boiling Point: 150.2 °C at 760 mmHg; (16)Vapour Pressure: 3.89 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: N#CC[NH2+]C.[O-]S(=O)(=O)O
(2) InChI: InChI=1/C3H6N2.H2O4S/c1-5-3-2-4;1-5(2,3)4/h5H,3H2,1H3;(H2,1,2,3,4)
(3) InChIKey: SEBZVAFMXLJJNO-UHFFFAOYAC

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1 gm/kg (1000 mg/kg)		National Technical Information Service. Vol. AD277-689,