Basic information
- CAS
1433-27-8- Standard SMILES
CCN=C=NC(C)(C)C- InChIKey
AXTNYCDVWRSOCU-UHFFFAOYSA-N- Molecular formula
- C7H14N2
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.11569845
Names & identifiers
- Preferred name
- 1-tert-Butyl-3-ethylcarbodiimide
- IUPAC
- N'-tert-butyl-N-ethylmethanediimine
- English name
- 1-tert-Butyl-3-ethylcarbodiimide
- Molecular formula
- C7H14N2
- Molecular weight
- 126.2
Names & synonyms
1-tert-Butyl-3-ethylcarbodiimide1433-27-8DTXSID50404675RefChem:235397DTXCID20355529626-088-6MFCD00209556N/'-tert-butyl-N-ethylmethanediimineN-(Ethylcarbonimidoyl)-2-methyl-2-propanamine1-(tert-Butyl)-3-ethylcarbodiimideethyl dimethylethylcarbodiimideSCHEMBL531924
Show more names
1-Tert-Butyl-3 ethylcarbodimide1-Ethyl-3-tert-butylcarbodiimideN-TERT-BUTYL-N'-ETHYLCARBODIIMIDEN-Ethyl-N'-(tert-butyl)carbodiimide1-tert-butyl-3-ethylcarbondisoamine1-tert-Butyl-3-ethylcarbodiiMide 99%2-Propanamine, N-(ethylcarbonimidoyl)-2-methyl-
1-t-butyl-3-ethylcarbodiimideAXTNYCDVWRSOCU-UHFFFAOYSA-NN-tert-Butyl-N'-ethylmethanediimineN\'-tert-butyl-N-ethylmethanediimineAKOS015909616FB455261-tert-Butyl-3-ethylcarbodiimide, 99%AS-85724
Database identifiers
- CAS
1433-27-8- PubChem CID
- 4594009
- DTXSID
DTXSID50404675- EC Number
- 626-088-6
- Nikkaji
- J328.982F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 24.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 137 · 137-139 °C(lit.)
- Density
- 0.814 g/mL · 0.814 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.432(lit.)
- Flash point
- 94 °F · 94 °F
- form
- liquid
- Major Application
- peptide synthesis
- InChI
- InChI=1S/C7H14N2/c1-5-8-6-9-7(2,3)4/h5H2,1-4H3
- InChIKey
- AXTNYCDVWRSOCU-UHFFFAOYSA-N
- SMILES
- N(=C=NCC)C(C)(C)C
- UNSPSC Code
- 12352001 · 12352001
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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 CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 16-26-36
- Storage Class
- 3 - Flammable liquids
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesReactant for: Guanylation of aminesSynthesis of tantalum dimethylamido diamidato and guanidinato complexes for CVD of nitride thin filmsPreparation of titanium amidinate guanidinate alkylamide complex precursors for HfO2 filmsKetene cycloadditionsHydroamination of carbodiimides using group-2-element amides as precatalystsSynthesis of cobalt amidinato derivative complexes for studies involving thermal stability, vapro pressure, vaporization rate and thermal decomposition properties
Suppliers29 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
广东百科试剂有限公司13532366769 13686183698 · [email protected]
Syntechem Co.,Ltd[email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
怀化市冰峰化工有限公司0745-2866851 17711757908 · [email protected]
广东顺奥化学试剂有限公司19928586137 · [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]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
Related reactions
1 records
Compound notes
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