Basic information
- CAS
148214-90-8- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H](N)[C@H](O)C1- InChIKey
MOZOQDNRVPHFOO-RNFRBKRXSA-N- Molecular formula
- C9H18N2O3
- Average molar mass
- 202.25 g/mol
Names & identifiers
- Preferred name
- (3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
- IUPAC
- tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate
- English name
- 1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI)
- Molecular formula
- C9H18N2O3
- Molecular weight
- 202.25
Names & synonyms
330681-18-0(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidinerac-tert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylateRefChem:401039674-576-2828-720-8148214-90-8(3R,4R)-TERT-BUTYL 3-AMINO-4-HYDROXYPYRROLIDINE-1-CARBOXYLATEtrans-3-Amino-1-Boc-4-hydroxypyrrolidinetert-butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylate(3R,4R)-rel-tert-Butyl 3-amino-4-hydroxypyrrolidine-1-carboxylateMFCD11111251
Show more names
(3R,4R)-4-aMino-1-N-Boc-3-hydroxypyrrolidineTrans-(3R,4R)-1-Boc-3-aMino-4-hydroxypyrrolidine1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI)1-Pyrrolidinecarboxylic acid, 3-amino-4-hydroxy-, 1,1-dimethylethyl ester, (3R,4R)-1-Pyrrolidinecarboxylicacid,3-amino-4-hydroxy-,1,1-dimethylethylester,(3R,4R)-(9CI) USP/EP/BP
(3R,4R)-1-Boc-3-amino-4-hydroxypyrrolidine1-PYRROLIDINECARBOXYLIC ACID, 3-AMINO-4-HYDROXY-, 1,1-DIMETHYLETHYL ESTER, (3R,4R)-REL-tert-Butyl trans-3-amino-4-hydroxypyrrolidine-1-carboxylatetrans-1-Boc-4-aminopyrrolidin-3-ol(3R,4R)-tert-butyl3-amino-4-hydroxypyrrolidine-1-carboxylateMFCD06858457rel-tert-Butyl (3R,4R)-3-amino-4-hydroxypyrrolidine-1-carboxylateSY023859
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Boiling point
- 308.8 · 308.8±42.0 °C(Predicted)
- Density
- 1.179 · 1.179
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.36 · 14.36±0.40(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- RIDADR
- 3259 · 3259
- HazardClass
- 8 · 8
- PackingGroup
- Ⅲ
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin Corr. 1 (50%)
Safety data
- ridadr
- 3259
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- packing_group
- Ⅲ
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers59 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
骓慕化学（天津）有限公司13116033143 17602663561 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海朵成医药科技有限公司021-34716221 15800796336 · [email protected]
广东顺奥化学试剂有限公司
Related reactions
17 records
Compound notes
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