Aminoacetonitrile sulfate (1:1)

HCID 196971

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Basic information

CAS: 151-63-3
Standard SMILES: N#CCN.O=S(=O)(O)O
InChIKey: GTGIXCPOLMWQTC-UHFFFAOYSA-N
Molecular formula: C2H6N2O4S
Average molar mass: 154.15 g/mol
Monoisotopic mass: 154.00482767

Names & identifiers

Preferred name: Aminoacetonitrile sulfate (1:1)
IUPAC: 2-aminoacetonitrile;sulfuric acid
English name: AMINOACETONITRILE HYDROGEN SULFATE
Molecular formula: C2H6N2O4S
Molecular weight: 154.15

Names & synonyms

151-63-3Aminoacetonitrile bisulfateAminoacetonitrile hydrogen sulfateAminoacetonitrile sulfate (1:1)Aminoacetonitrile hydrosulfateAminoacetonitrile bisulphateAcetonitrile, 2-amino-, sulfate (1:1)EINECS 205-794-47XA82HGQ1CAcetonitrile, amino-, bisulfateAI3-52434Acetonitrile, amino-, sulfate (1:1)

Show more names

GLYCINONITRILESULFATEGLYCINONITRILE BISULFATEamino-acetonitrilbisulfateaminoacetonitrilesulfate(1:1)Aminoacetonitrile monosulfateGLYCINONITRILE HYDROGEN SULFATECYANOMETHYLAMINE HYDROGEN SULFATEAMINOMETHYLCYANIDE HYDROGEN SULFATESulfate (1:1)

DTXSID90164685NSC-128389AMINOACETONITRILE SULFATE (1:1) [MI]RefChem:557531DTXCID30871762-Aminoacetonitrile sulfateAminoacetonitrile hydrogensulfate2-aminoacetonitrile;sulfuric acid

Database identifiers

CAS: 151-63-3、5466-22-8
PubChem CID: 196971
DTXSID: DTXSID90164685
UNII: 7XA82HGQ1C
EC Number: 205-794-4

Properties

Computed structural properties

Topological polar surface area: 133 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 121

Physicochemical properties

Melting point: 120 · 120-125 °C(lit.)
storage temp.: 2 · 2-8°C
form: Crystalline Powder and Chunks
color: White to yellow-beige
Merck: 14 · 14,412
CAS DataBase Reference: 151 · 151-63-3(CAS DataBase Reference)
FDA UNII: 7 XA82HGQ1C · 7XA82HGQ1C
Symbol(GHS): 6 · GHS06,GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335-H301+H311+H331
Precautionary statements: 261 · P261-P305+P351+P338-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
RIDADR: 3439 · 3439
WGK Germany: 3 · 3
RTECS: 7800000 · AL7800000
F: 3 · 3-10
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 29269095 · 29269095

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 3-10
wgk: 3
rtecs: AL7800000
ridadr: 3439
hs_code: 29269095
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS06,GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: 6.1
packing_group: III
Hazard statements: H315-H319-H335-H301+H311+H331
Precautionary statements: P261-P305+P351+P338-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312+P361+P364-P304+P340+P311-P305+P351+P338+P337+P313-P403+P233-P405-P501