CAS 25808-30-4 Acetonitrile, 2-(methylamino)-, hydrochloride (1:1) (HCID 117641)

Names & identifiers

Preferred name: Acetonitrile, 2-(methylamino)-, hydrochloride (1:1)
IUPAC: 2-(methylamino)acetonitrile;hydrochloride
English name: Methylaminoacetonitrile hydrochloride
Molecular formula: C3H7ClN2
Molecular weight: 106.55

Names & synonyms

Methylaminoacetonitrile hydrochlorideAcetonitrile, 2-(methylamino)-, hydrochloride (1:1)Cyanomethyl(methyl)ammonium chlorideR6AU3C4NY5N-Methylaminoacetonitrile hydrochlorideDTXSID3067152(METHYLAMINO)ACETONITRILE MONOHYDROCHLORIDERefChem:199347DTXCID703739725808-30-42-(methylamino)acetonitrile hydrochlorideAcetonitrile, (methylamino)-, monohydrochloride

Show more names

SARCOSINITRILEJACS-25808-30-4MethylaminoacetonitrMETHYLAMINOACETONITRILE HCLSARCOSINITRILE HYDROCHLORIDEN-METHYL AMINOACETONITRILE HCLSARCOSINE NITRILE HYDROCHLORIDE(methylamino)acetonitrilhydrochlorid

MFCD00012587C3H7ClN2Methylaminoacetonitrile, hydrochloride2-(methylamino)acetonitrile;hydrochlorideSCHEMBL846682CS-W002073GS-3232BP-12476

Database identifiers

CAS: 25808-30-4
PubChem CID: 117641
DTXSID: DTXSID3067152
UNII: R6AU3C4NY5
EC Number: 247-277-6

Properties

Computed structural properties

Topological polar surface area: 35.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 49.2

Physicochemical properties

Melting point: 103 · 103-106 °C(lit.)
storage temp.: Inert atmosphere,Room Temperature
Appearance: White to off-white Solid
BRN: 3908975 · 3908975
InChI: 1S/C3H6N2.ClH/c1-5-3-2-4;/h5H,3H2,1H3;1H
InChIKey: DFKBQHBEROHUNF-UHFFFAOYSA-N
SMILES: Cl.CNCC#N
CAS DataBase Reference: 25808 · 25808-30-4(CAS DataBase Reference)
FDA UNII: 6 AU3C4NY5 · R6AU3C4NY5
EPA Substance Registry System: Acetonitrile, (methylamino)-, monohydrochloride (25808-30-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29269090 · 29269090
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29269090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationAcetonitrile, 2-(methylamino)-, hydrochloride (1:1): ACTIVE

Applications · 1 item

UsesMethylaminoacetonitrile hydrochloride can be used as an intermediate in pharmaceutical and chemical synthesis. It is the raw material for the preparation of tadalafil. Approved by the FDA in 2003, tadalafil was marketed in the United States as a drug for the treatment of erectile dysfunction in men.