Basic information
- CAS
540-61-4- Standard SMILES
N#CCN- InChIKey
DFNYGALUNNFWKJ-UHFFFAOYSA-N- Molecular formula
- C2H4N2
- Average molar mass
- 56.07 g/mol
- Monoisotopic mass
- 56.03744813
Overview
Cyanomethylamine.
Names & identifiers
- Preferred name
- Aminoacetonitrile
- IUPAC
- 2-aminoacetonitrile
- English name
- AMINOACETONITRILE
- Molecular formula
- C2H4N2
- Molecular weight
- 56.07
Names & synonyms
Aminoacetonitrile540-61-4GlycinonitrileCyanomethylamineACETONITRILE, AMINO-Glycinenitrile3739OQ10IJDTXSID90202314RefChem:112001DTXCID90124805208-751-82-Aminoacetonitrile
Show more names
SKL069Aminocyanomethaneamino-acetonitril
ami-noacetonitrileamino acetonitrileEINECS 208-751-8UNII-3739OQ10IJBRN 0773694H2NCH2CNC2H4N2amino-acetonitrile
Database identifiers
- CAS
540-61-4- PubChem CID
- 10901
- DTXSID
DTXSID90202314- ChEMBL
CHEMBL1193997- UNII
- 3739OQ10IJ
- EC Number
- 208-751-8
- Nikkaji
- J70A
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 4
- Formal charge
- 0
- Complexity
- 39.2
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials PropertiesSchoenflies notation
LogP-1.37
Vapor Pressure7.94 [mmHg]
Physical DescriptionOily liquid; [Merck Index]
Physicochemical properties
- Melting point
- 101 °C · 101 °C
- Boiling point
- 15 · bp15 58° (partial decompn)
- Density
- 0.7789 · 0.7789 (rough estimate)
- refractive index
- 1.418 · 1.4180 (estimate)
- storage temp.
- -20 °C · -20°C
- form
- liquid
- pka
- 5.34 · 5.34(at 25℃)
- Appearance
- Light brown to brown Liquid
- InChI
- InChI=1S/C2H4N2/c3-1-2-4/h1,3H2
- InChIKey
- DFNYGALUNNFWKJ-UHFFFAOYSA-N
- SMILES
- C(#N)CN
- CAS DataBase Reference
- 540 · 540-61-4
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3739 OQ10IJ · 3739OQ10IJ
- NIST Chemistry Reference
- 2 NH2 · NCCH2NH2(540-61-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07,GHS08
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H351
- Precautionary statements
- 201 · P201-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xn
- Risk Statements
- 20 · 20/21/22-40
- Safety Statements
- 23 · 23-36
- RIDADR
- 1993 · NA 1993 / PGIII
- WGK Germany
- 3 · 3
- RTECS
- 7750000 · AL7750000
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 DermalAcute · Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Acetonitrile, amino-
Hazards SummaryMay cause irritation; [MSDSonline] See NITRILES.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Toxicology
Adverse EffectsOther Poison - Chemical Asphyxiant
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- rtecs
- AL7750000
- ridadr
- NA 1993 / PGIII
- risk_code
- 20/21/22-40
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS08
- hazard_code
- Xn
- safety_code
- 23-36
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H302+H312+H332-H351
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2
- Precautionary statements
- P201-P280-P301+P312-P302+P352+P312-P304+P340+P312-P308+P313
Chemistry & industry
Applications
UsesAminoacetonitrile is used in preparation of the Heterocyclic compounds and their medical applications.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers60 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
Syntechem Co.,Ltd[email protected]
南京腾怡生物科技有限公司17714337195 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
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大连硕辉医药技术有限公司18704288106 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
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上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
南京博米尔生物科技有限公司025-83453382-8005 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
上海康曼生物科技有限公司18800375331 · [email protected]
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
河南威梯希化工科技有限公司0371-53370800 18037197114 · [email protected]
济南达恩医药科技有限公司0531-15905416-458 15905416458 · [email protected]
济南达恩医药科技有限公司0531-68657833 15553112864 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海易恩化学技术有限公司400-400-1332688 18019345275 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
成都伍源生物工程有限公司17358513851 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Aladdin Scientific[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
PNP Biotech Co. Ltd+86-18516098983 · [email protected]
Related reactions
64 records
Compound notes
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