N-Boc-N-methyl-3-chloro-1-propanamine - CAS 114326-14-6
Catalog: |
BB003385 |
Product Name: |
N-Boc-N-methyl-3-chloro-1-propanamine |
CAS: |
114326-14-6 |
Synonyms: |
N-(3-chloropropyl)-N-methylcarbamic acid tert-butyl ester; tert-butyl N-(3-chloropropyl)-N-methylcarbamate |
IUPAC Name: | tert-butyl N-(3-chloropropyl)-N-methylcarbamate |
Description: | N-Boc-N-methyl-3-chloro-1-propanamine (CAS# 114326-14-6) is a useful research chemical. |
Molecular Weight: | 207.70 |
Molecular Formula: | C9H18ClNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)N(C)CCCCl |
InChI: | InChI=1S/C9H18ClNO2/c1-9(2,3)13-8(12)11(4)7-5-6-10/h5-7H2,1-4H3 |
InChI Key: | BVGHWHRLCIXJTJ-UHFFFAOYSA-N |
Appearance: | White to yellow solid |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.48220 |
Publication Number | Title | Priority Date |
CN-113372273-A | Ivabradine intermediate compound IV | 20200310 |
CN-113372274-A | Preparation method of ivabradine | 20200310 |
WO-2021076197-A1 | Conjugate molecules | 20191015 |
EP-3611161-A1 | Biaryl sulfonamide derivative having filovirus cell entry inhibition activity | 20170331 |
US-2021107871-A1 | Biaryl sulfonamide derivative having filovirus cell entry inhibition activity | 20170331 |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.1026065 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.1026065 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 29.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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