N-Boc-2-aminopropanal - CAS 114857-00-0

Name: N-Boc-2-aminopropanal
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003442
Product Name:	N-Boc-2-aminopropanal
CAS:	114857-00-0
Synonyms:	N-(1-oxopropan-2-yl)carbamic acid tert-butyl ester; tert-butyl N-(1-oxopropan-2-yl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(1-oxopropan-2-yl)carbamate
Description:	N-Boc-2-aminopropanal (CAS# 114857-00-0) is a useful research chemical.
Molecular Weight:	173.21
Molecular Formula:	C8H15NO3
Canonical SMILES:	CC(C=O)NC(=O)OC(C)(C)C
InChI:	InChI=1S/C8H15NO3/c1-6(5-10)9-7(11)12-8(2,3)4/h5-6H,1-4H3,(H,9,11)
InChI Key:	OEQRZPWMXXJEKU-UHFFFAOYSA-N
Density:	1.015 g/cm³
Storage:	Inert atmosphere, Store in freezer, under -20 °C
LogP:	1.30290

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021083936-A1	Pesticidally active fused bicyclic heteroaromatic compounds	20191101
WO-2021037614-A1	Pesticidally active pyrazine-amide compounds	20190823
CN-112321590-A	Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR8 agonists	20190802
US-2021024457-A1	Diamide antimicrobial agents	20190725
WO-2020208036-A1	Pesticidally active diazine-amide compounds	20190411

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	173.10519334
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	173.10519334
Rotatable Bond Count:	4
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9