5-(Z-Amino)-1-pentanol - CAS 87905-98-4
Catalog: |
BB038671 |
Product Name: |
5-(Z-Amino)-1-pentanol |
CAS: |
87905-98-4 |
Synonyms: |
5-Amino-N-benzyloxycarbonylpentanol; N-(5-Hydroxypentyl)-carbamic Acid Phenylmethyl Ester; 5-[(Benzyloxycarbonyl)amino]-1-pentanol; N-Benzyloxycarbonyl-5-aminopentanol; Benzyl (5-hydroxypentyl)carbamate; 5-(Cbz-amino)-1-pentanol; (5-Hydroxy-pentyl)-carbamic acid benzyl ester; N-Cbz-5-hydroxypentylamine; N-CBZ-5-amino-1-pentanol; Carbamic acid, N-(5-hydroxypentyl)-, phenylmethyl ester |
IUPAC Name: | benzyl N-(5-hydroxypentyl)carbamate |
Molecular Weight: | 237.29 |
Molecular Formula: | C13H19NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC(=O)NCCCCCO |
InChI: | InChI=1S/C13H19NO3/c15-10-6-2-5-9-14-13(16)17-11-12-7-3-1-4-8-12/h1,3-4,7-8,15H,2,5-6,9-11H2,(H,14,16) |
InChI Key: | TYIYHFWLYLHCHY-UHFFFAOYSA-N |
Boiling Point: | 408.2±38.0°C (Predicted) |
Melting Point: | 43-47°C |
Purity: | 95% |
Density: | 1.105±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly) |
Appearance: | White to Pale Gray to Pale Beige Low Melting Solid |
Storage: | Store at 2-8°C |
MDL: | MFCD01863135 |
LogP: | 2.46630 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.13649347 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.13649347 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 58.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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