rac-(3R,4R)-4-amino-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid, 95%

Name: rac-(3R,4R)-4-amino-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid
Brand: Chempure

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CAS Number

1021428-21-6

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IUPAC name	(3R,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
inchi	InChI=1S/C10H18N2O4/c1-10(2,3)16-9(15)12-4-6(8(13)14)7(11)5-12/h6-7H,4-5,11H2,1-3H3,(H,13,14)/t6-,7+/m1/s1
inchi key	OSQJCAMJAGJCSX-RQJHMYQMSA-N
molecular formula	C10H18N2O4
synonyms	492462-02-9 (3R,4R)-4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid cis-4-Amino-1-Boc-pyrrolidine-3-carboxylic acid (3R,4R)-4-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid 1,3-Pyrrolidinedicarboxylicacid, 4-amino-, 1-(1,1-dimethylethyl) ester, (3R,4R)-

Computed Properties

Molecular Weight:	230.26 g/mol
XLogP3:	-2.2
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	3
Exact Mass:	230.12665706 g/mol
Monoisotopic Mass:	230.12665706 g/mol
Topological Polar Surface Area:	92.9 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	298
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	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]

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Product No: AY0282

rac-(3R,4R)-4-amino-1-[(tert-butoxy)carbonyl]pyrrolidine-3-carboxylic acid, 95%

Product No: AY0282

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