rac-tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate

HCID 45489895

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 907544-16-5
표준 SMILES: CC(C)(C)OC(=O)N1CC[C@@H](N)[C@H](F)C1
InChIKey: ZQRYPCAUVKVMLZ-HTQZYQBOSA-N
분자식: C10H19FN2O2
평균 분자량: 218.27 g/mol
단동위원소 질량: 218.14305607

이름 및 식별자

우선 이름: rac-tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate
IUPAC: tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylate
영어명: (3R,4R)-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate
분자식: C10H19FN2O2
분자량: 218.27

이름 및 동의어

rac-tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylateRefChem:874841852-740-61260612-08-5(3R,4R)-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylate907544-16-5tert-butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylateTRANS-4-AMINO-1-BOC-3-FLUOROPIPERIDINE(3R,4R)-4-Amino-1-Boc-3-fluoropiperidineMFCD12756122MFCD187912111-Piperidinecarboxylic acid, 4-amino-3-fluoro-, 1,1-dimethylethyl ester, (3R,4R)-

이름 더 보기

trans-4-AMino-1-Boc-3-flu...1-Boc-4-amino-3-fluoro-piperidineTrans-1-Boc-4-amino-3-fluoropiperidinetert-butyl 3,4-trans-4-amino-3-fluoropiperidine-1-carboxylatetert-Butyl rel-(3S,4S)-4-amino-3-fluoropiperidine-1-carboxylate

(3R,4R)-tert-butyl4-amino-3-fluoropiperidine-1-carboxylatetrans-tert-butyl 4-amino-3-fluoropiperidine-1-carboxylateAKOS015897995rel-tert-Butyl (3R,4R)-4-amino-3-fluoropiperidine-1-carboxylatetert-butyl trans-4-amino-3-fluoropiperidine-1-carboxylatetert-butyl trans-trans-(3R,4R)-1-Boc-4-amino-3-fluoropiperidineSCHEMBL255936

데이터베이스 식별자

CAS: 907544-16-5
PubChem CID: 45489895
DTXSID: DTXSID00670500
EC Number: 852-740-6

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 55.6 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 240

물리화학적 성질

끓는 점: 285.587 · 285.587±40.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.11 · 1.11
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 8.879 · 8.879±0.40(predicted)
InChI: InChI=1/C10H19FN2O2/c1-10(2,3)15-9(14)13-5-4-8(12)7(11)6-13/h7-8H,4-6,12H2,1-3H3/t7-,8-/s3
InChIKey: ZQRYPCAUVKVMLZ-KWTCHIRYNA-N
SMILES: N1(C(OC(C)(C)C)=O)CC[C@@H](N)[C@H](F)C1 |&1:10,12,r|

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.