1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate, 95%

Name: 1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate
Brand: Chempure
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CAS Number

121148-00-3

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IUPAC name	1-O-tert-butyl 2-O-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate
inchi	InChI=1S/C11H20N2O4/c1-11(2,3)17-10(15)13-6-7(12)5-8(13)9(14)16-4/h7-8H,5-6,12H2,1-4H3/t7-,8+/m1/s1
inchi key	IOLQYMRFIIVPMQ-SFYZADRCSA-N
molecular formula	C11H20N2O4
synonyms	121148-00-3 N-Boc-trans-4-amino-L-proline methyl ester 1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate (2S,4R)-1-tert-butyl 2-methyl 4-aminopyrrolidine-1,2-dicarboxylate 1-O-tert-butyl 2-O-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate

Computed Properties

Molecular Weight:	244.29 g/mol
XLogP3:	0.3
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	4
Exact Mass:	244.14230712 g/mol
Monoisotopic Mass:	244.14230712 g/mol
Topological Polar Surface Area:	81.9 Å²
Heavy Atom Count:	17
Formal Charge:	0
Complexity:	311
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	Danger
hazard classes and categories	Acute Tox. 3 (50%) Acute Tox. 4 (50%) Skin Irrit. 2 (50%) Eye Irrit. 2A (50%) STOT SE 3 (50%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: BC6377

1-tert-butyl 2-methyl (2S,4R)-4-aminopyrrolidine-1,2-dicarboxylate, 95%

Product No: BC6377

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