Basic information
- Standard SMILES
CNCC#N- InChIKey
PVVRRUUMHFWFQV-UHFFFAOYSA-N- Molecular formula
- C3H6N2
- Average molar mass
- 70.09 g/mol
- Monoisotopic mass
- 70.05309819
Names & identifiers
- Preferred name
- Acetonitrile, 2-(methylamino)-
- IUPAC
- 2-(methylamino)acetonitrile
- English name
- Methylaminoacetonitrile
- Molecular formula
- C3H6N2
- Molecular weight
- 70.09
Names & synonyms
Methylaminoacetonitrile5616-32-0(Methylamino)acetonitrileAcetonitrile, (methylamino)-N-MethylaminoacetonitrileGlycinonitrile, N-methyl-Acetonitrile, 2-(methylamino)-EINECS 227-037-7NSC 99320DTXSID3063962RefChem:552409DTXCID1042027
Show more names
SACOSINE NITRILE(methylamino)-acetonitrilMethylaminoacetonitrile>(N-methylamino)acetonitrileAcetonitrile,(methylamino)-
227-037-72-(methylamino)acetonitrileSarcosinonitrileMFCD000589642-(Methylamino)-acetonitrileCH3NHCH2CNNSC-993202-(methylamino)ethanenitrile
Database identifiers
- CAS
5616-32-0- PubChem CID
- 36652
- DTXSID
DTXSID3063962- UNII
- KL8ZR823UA
- EC Number
- 227-037-7
- Nikkaji
- J62.789E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 5
- Formal charge
- 0
- Complexity
- 49.2
Experimental & physicochemical properties
SpringerMaterials PropertiesCoriolis coupling
Physicochemical properties
- Boiling point
- 65 °C · 65 °C / 20mmHg
- Density
- 0 · 0,92 g/cm3
- refractive index
- 1.419 to · 1.4190 to 1.4220
- Flash point
- 44 °C · 44 °C
- storage temp.
- Freezer
- pka
- 4.74 · 4.74±0.10(Predicted)
- form
- clear liquid
- color
- Colorless to Light orange to Yellow
- InChI
- 1S/C3H6N2/c1-5-3-2-4/h5H,3H2,1H3
- InChIKey
- PVVRRUUMHFWFQV-UHFFFAOYSA-N
- SMILES
- CNCC#N
- CAS DataBase Reference
- 5616 · 5616-32-0(CAS DataBase Reference)
- EPA Substance Registry System
- Acetonitrile, (methylamino)- (5616-32-0)
- UNSPSC Code
- 12352200 · 12352200
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P280-P301+P330+P331-P302+P352-P304+P312-P305+P351+P338
- Hazard Codes
- F,Xn
- Risk Statements
- 11 · 11-20/21/22-38-36-22-10
- Safety Statements
- 16 · 16-23-36/37/39
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- HS Code
- 2926.9 · 2926.90.5050
- HazardClass
- 3 · 3
- PackingGroup
- III
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- ridadr
- 1993
- hs_code
- 2926.90.5050
- risk_code
- 11-20/21/22-38-36-22-10
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xn
- safety_code
- 16-23-36/37/39
- hazard_class
- 3
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226-H315-H319-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Flam. Liq. 3Skin Irrit. 2
- Precautionary statements
- P210-P280-P301+P330+P331-P302+P352-P304+P312-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetonitrile, 2-(methylamino)-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers49 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
Syntechem Co.,Ltd[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
科瑞希（天津）新材料技术有限公司022-83945173 18622315263 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
上海睿升化工科技有限公司15026594951 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
上海宏驹医药科技有限公司18001895509 · [email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
天津易创成医药技术有限公司022-83946278 13820503911 · [email protected]
Related reactions
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