Basic Information | Post buying leads | Suppliers |
Name |
Methylaminoacetonitrile sulfate |
EINECS | N/A |
CAS No. | 33986-15-1 | Density | N/A |
PSA | 118.80000 | LogP | 0.54828 |
Solubility | almost transparency | Melting Point |
159.0 to 163.0 °C |
Formula | C3H8N2O4S | Boiling Point | 150.2 °C at 760 mmHg |
Molecular Weight | 238.268 | Flash Point | 44.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methylaminoacetonitrile sulfate;USAF A-8104; |
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, |