(Butylamino)acetonitril

(Butylamino)acetonitrile

HCID 76373CAS 3010-04-6

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Grundinformationen

Standard-SMILES: CCCCNCC#N
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N
Summenformel: C6H12N2
Durchschnittliche Molmasse: 112,17 g/mol
Monoisotopische Masse: 112,10004839

Namen und Bezeichner

Bevorzugter Name: (Butylamino)acetonitrile
IUPAC: 2-(butylamino)acetonitrile
Lokaler Name: (Butylamino)acetonitril
Englischer Name: (N-Butylamino)acetonitrile
Summenformel: C6H12N2
Molmasse: 112.17

Namen und Synonyme

(Butylamino)acetonitrileDTXSID90184186EINECS 221-132-7NSC 103146RefChem:405973DTXCID00106677221-132-7(n-Butylamino)acetonitrile2-(butylamino)acetonitrile3010-04-6N-n-ButylaminoacetonitrileAcetonitrile, (butylamino)-

Weitere Namen anzeigen

(Butylamino)acetonitrile 97%Acetonitrile, 2-(butylamino)-(n-Butylamino)acetonitrile,98%(N-BUTYLAMINO)-ACETONITRILE 98%(n-ButylaMino)acetonitrile, 98% 5ML(N-BUTYLAMINO)ACETONITRILE ISO 9001：2015 REACH

butylamino-acetonitrileMFCD00001888NSC-103146NSC1031462-butylaminoacetonitrileJUJ5NAX6ABSCHEMBL442358(Butylamino)acetonitrile, 97%

Datenbank-Bezeichner

CAS: 3010-04-6
PubChem CID: 76373
DTXSID: DTXSID90184186
UNII: JUJ5NAX6AB
EC Number: 221-132-7
Nikkaji: J27.763K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,8
Polarare Oberfläche (TPSA): 35,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 4
Schwere Atome: 8
Formalladung: 0
Komplexität: 79

Physikochemische Eigenschaften

Siedepunkt: 85 °C9 · 85 °C9 mm Hg(lit.)
Dichte: 0.891 g/mL · 0.891 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.434(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 0 · Store at 0-8 °C
InChI: 1S/C6H12N2/c1-2-3-5-8-6-4-7/h8H,2-3,5-6H2,1H3
InChIKey: SPMMZKAWNAKPJM-UHFFFAOYSA-N
SMILES: CCCCNCC#N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Sicherheitsdaten

wgk: 3
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-37/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3