Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCN- InChIKey
AOCSUUGBCMTKJH-UHFFFAOYSA-N- Molecular formula
- C7H16N2O2
- Average molar mass
- 160.21 g/mol
- Monoisotopic mass
- 160.12117775
Names & identifiers
- Preferred name
- N-BOC-ethylenediamine
- IUPAC
- tert-butyl N-(2-aminoethyl)carbamate
- English name
- N-Boc-Ethylenediamine
- Molecular formula
- C7H16N2O2
- Molecular weight
- 160.21
Names & synonyms
N-Boc-ethylenediamine57260-73-8tert-Butyl N-(2-aminoethyl)carbamateDTXSID70276679RefChem:829336DTXCID30206997611-490-6tert-butyl (2-aminoethyl)carbamateNH2-C2-NH-Boctert-butyl 2-aminoethylcarbamateMFCD00191871N-(2-Aminoethyl)carbamic Acid tert-Butyl Ester
Show more names
BOC-EDAN-Boc-1Boc-EthylenediamineBOC-DIAMINOETHANEN-boc-1,2-ethylenediamineN-TERT-BOC-ETHYLENEDIAMINE
N-Boc-1,2-diaminoethanen-boc-ethane-1,2-diaminetert-butyl(2-aminoethyl)carbamatetert-butyl-(2-aminoethyl)carbamateN-(2-aminoethyl)(tert-butoxy)carboxamideN-(tert-Butoxycarbonyl)-1,2-diaminoethanen-t-boc-ethylenediamine(2-amino-ethyl)-carbamic acid tert-butyl ester
Database identifiers
- CAS
57260-73-8- PubChem CID
- 187201
- DTXSID
DTXSID70276679- EC Number
- 611-490-6
- Nikkaji
- J582.375G
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 129
Physicochemical properties
- Boiling point
- 72 · 72-80 °C0.1 mm Hg(lit.)
- Density
- 1.012 g/mL · 1.012 g/mL at 20 °C(lit.)
- refractive index
- 20 · n20/D 1.458(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Oily Liquid
- pka
- 12.4 · 12.40±0.46(Predicted)
- Specific Gravity
- 1.012 · 1.012
- color
- Clear colorless to very light yellow
- Water Solubility
- Miscible with methanol and chloroform. Slightly miscible with water.
- Sensitive
- Air Sensitive
- BRN
- 1932330 · 1932330
- Exposure limits
- 100 ppmOSHA: · ACGIH: TWA 100 ppmOSHA: TWA 100 ppm(300 mg/m3)NIOSH: IDLH 1600 ppm; TWA 100 ppm(300 mg/m3); STEL 150 ppm(450 mg/m3)
- InChI
- 1S/C7H16N2O2/c1-7(2,3)11-6(10)9-5-4-8/h4-5,8H2,1-3H3,(H,9,10)
- InChIKey
- AOCSUUGBCMTKJH-UHFFFAOYSA-N
- SMILES
- NCCNC(OC(C)(C)C)=O
- CAS DataBase Reference
- 57260 · 57260-73-8(CAS DataBase Reference)
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 2735 · UN 2735 8/PG 3
- WGK Germany
- 3 · 3
- F
- 10 · 10-34
- Hazard Note
- Corrosive/Air Sensitive
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29241990 · 29241990
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (98.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 56 reports by companies from 6 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1A (98.2%)
Safety data
- F
- 10-34
- PPE
- Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 2735 8/PG 3
- hs_code
- 29241990
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- hazard_note
- Corrosive/Air Sensitive
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- REACH Registrations
- Active
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
Usessuzuki reaction
UsesN-Boc-ethylenediamine is used in the synthesis of thyronamine derivatives. It is also used in the preparation of (2-isothiocyanato-ethyl)-carbamic acid tert-butyl ester by reacting with carbon disulfide. Further, it is used in both oligonucleotide and peptide synthesis.
UsesN-Boc-ethylenediamine is used in the synthesis of Thyronamine derivatives and analogs.
Upstream & downstream products
Upstream raw materials
Downstream products
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Related reactions
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