N,N-Bis(2-aminoethyl)carbamic acid tert-butyl ester - CAS 556082-02-1
Catalog: |
BB075088 |
Product Name: |
N,N-Bis(2-aminoethyl)carbamic acid tert-butyl ester |
CAS: |
556082-02-1 |
Synonyms: |
tert-Butyl bis(2-aminoethyl)carbamate; Carbamic acid, bis(2-aminoethyl)-, 1,1-dimethylethyl ester; TERT-BUTYL N,N-BIS(2-AMINOETHYL)CARBAMATE; MonoBoc-diethylenetriamine; tert-Butylbis(2-aminoethyl)carbamate |
IUPAC Name: | tert-butyl N,N-bis(2-aminoethyl)carbamate |
Molecular Weight: | 203.28 |
Molecular Formula: | C9H21N3O2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(CCN)CCN |
InChI: | InChI=1S/C9H21N3O2/c1-9(2,3)14-8(13)12(6-4-10)7-5-11/h4-7,10-11H2,1-3H3 |
InChI Key: | VORKTMXRWZVRLA-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Complexity: | 171 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.16337692 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.16337692 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 81.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.8 |
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