Completing data — refresh the page later to see the latest
Basic information
- CAS
3085-76-5- Standard SMILES
CC(C)N(C#N)C(C)C- InChIKey
DGCUISYKMONQDH-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569845
Names & identifiers
- Preferred name
- Diisopropylcyanamide
- IUPAC
- di(propan-2-yl)cyanamide
- English name
- Diisopropylcyanamide
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
Diisopropylcyanamide3085-76-5NSC 7775EINECS 221-401-9N,N-Bis(1-methylethyl)cyanamideDTXSID70184866RefChem:587936DTXCID10107357221-401-9InChI=1/C7H14N2/c1-6(2)9(5-8)7(3)4/h6-7H,1-4Hcyanobis(propan-2-yl)aminedi(propan-2-yl)cyanamide
Show more names
N,N-Diisopropylcyanamidei(propan-2-yl)cyanamideDIISOPROPYLCYANAMIDE 97+%
Cyanamide, bis(1-methylethyl)-Cyanamide, diisopropyl-Cyanamide, N,N-bis(1-methylethyl)-MFCD00008865DiisopropylcyanimideTW5D978CY5NSC7775NSC-7775
Database identifiers
- CAS
3085-76-5- PubChem CID
- 76520
- DTXSID
DTXSID70184866- UNII
- TW5D978CY5
- EC Number
- 221-401-9
- Nikkaji
- J236.400J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.1
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
Physicochemical properties
- Melting point
- -27 °C · -27°C(lit.)
- Boiling point
- 93 · 93-94 °C25 mm Hg(lit.)
- Density
- 0.839 g/mL · 0.839 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.427(lit.)
- Flash point
- 174 °F · 174 °F
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- -3.78 · -3.78±0.70(Predicted)
- form
- clear liquid
- color
- Colorless to Almost colorless
- FDA UNII
- 5 D978CY5 · TW5D978CY5
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H227
- Precautionary statements
- 501 · P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- hs_code
- 2926.90.4801
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-27-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H227
- Precautionary statements
- P501-P261-P270-P210-P271-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330-P302+P352+P312-P304+P340+P312-P403+P235
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers32 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
合肥曼奇诺生物医药技术有限公司19719236623 · [email protected]
上海埃玛诺生物科技有限公司17302153218 18068872592 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
1 records
Compound notes
Loading…