tert-Butyl (1S,3S)-3-aminocyclopentylcarbamate - CAS 645400-44-8
Catalog:
BB054635
Product Name:
tert-Butyl (1S,3S)-3-aminocyclopentylcarbamate
CAS:
645400-44-8
Synonyms:
(1S,3S)-3-Amino-1-(Boc-amino)cyclopentane; Carbamic acid, [(1S,3S)-3-aminocyclopentyl]-, 1,1-dimethylethyl ester (9CI); tert-Butyl (trans-3-aminocyclopentyl)carbamate
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BB054635
5 g
$799
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BB054635
10 g
$1299
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IUPAC Name: tert-butyl N-[(1S,3S)-3-aminocyclopentyl]carbamate
Molecular Weight: 200.28
Molecular Formula: C10H20N2O2
Canonical SMILES: CC(C)(C)OC(=O)NC1CCC(C1)N
InChI: InChI=1S/C10H20N2O2/c1-10(2,3)14-9(13)12-8-5-4-7(11)6-8/h7-8H,4-6,11H2,1-3H3,(H,12,13)/t7-,8-/m0/s1
InChI Key: PGBVMVTUWHCOHX-YUMQZZPRSA-N
Boiling Point: 304.2±31.0 °C at 760 mmHg
Purity: 95%
Density: 1.04±0.1 g/cm3
GHS Hazard Statement: H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement: P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word: Warning
Complexity: 211
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 2
Defined Bond Stereocenter Count: 0
Exact Mass: 200.152477885
Formal Charge: 0
Heavy Atom Count: 14
Hydrogen Bond Acceptor Count: 3
Hydrogen Bond Donor Count: 2
Isotope Atom Count: 0
Monoisotopic Mass: 200.152477885
Rotatable Bond Count: 3
Topological Polar Surface Area: 64.4
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1
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